UCSF

ZINC44387022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 35 No

Popular Name: (3R)-8,13-dimethyl-3-pentadecyl-4,8,13,17-tetrazacycloheptadecan-1-one (3R)-8,13-dimethyl-3-pentadecyl-…

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) 8.78 17.82 -182.38 5 5 3 55 497.877 14 ↓
Mid Mid (pH 6-8) 8.78 15.31 -84.36 4 5 2 53 496.869 14 ↓

Activity (Go SEA)

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