UCSF

ZINC36368054

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 No

Popular Name: (1R,3R)-1-(2-hydroxy-3-methyl-5-nitro-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic (1R,3R)-1-(2-hydroxy-3-methyl-5-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.53 7.15 -56.05 3 8 -1 134 366.353 3 ↓
Mid Mid (pH 6-8) 1.53 8.06 -38.74 4 8 0 139 367.361 3 ↓
Mid Mid (pH 6-8) 1.53 7.9 -96.2 2 8 -2 137 365.345 3 ↓

Activity (Go SEA)

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