UCSF

ZINC43895004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.99 8.89 -102.55 3 2 2 21 242.451 9
Mid Mid (pH 6-8) 3.99 7.92 -28.42 2 2 1 16 241.443 9

Activity (Go SEA)

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