UCSF

ZINC34992025

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 Yes

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) 3.08 5.21 -4.22 1 2 0 21 245.244 7
Mid Mid (pH 6-8) 3.08 6.59 -40.14 2 2 1 26 246.252 7

Activity (Go SEA)

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