UCSF

ZINC53341817

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 No

Popular Name: N'-cycloheptyl-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]ethane-1,2-diamine N'-cycloheptyl-N-methyl-N-[(3S)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.18 6.28 -40.71 2 2 1 20 257.467 5 ↓
Hi High (pH 8-9.5) 3.18 5.15 -2.11 1 2 0 15 256.459 5 ↓
Lo Low (pH 4.5-6) 3.18 8.54 -123.09 3 2 2 21 258.475 5 ↓

Activity (Go SEA)

Rings

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

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