UCSF

ZINC44526823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 18 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) 2.14 8.13 -84.52 3 3 2 24 255.45 2
Mid Mid (pH 6-8) 2.14 8.68 -180 4 3 3 25 256.458 2

Activity (Go SEA)

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