UCSF

ZINC32130935

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 Yes

Popular Name: 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-2-piperidinomethyl-; 6-Methyl-2-piperidinomethyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole; BRN 0890347; LS-22968 1H-Azepino(5,4,3-cd)indole, 3,4,…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.53 -39.77 3 3 1 32 284.427 2 ↓
Hi High (pH 8-9.5) 3.15 5.32 -5.13 2 3 0 31 283.419 2 ↓
Lo Low (pH 4.5-6) 3.15 8.73 -96.21 4 3 2 37 285.435 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.