UCSF

ZINC42367762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.08 7.18 -123.17 3 3 2 30 256.365 8
Mid Mid (pH 6-8) 2.08 5.12 -39.31 2 3 1 29 255.357 8

Activity (Go SEA)

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