UCSF

ZINC40175701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 2.64 6.67 -28.87 2 4 1 52 245.302 4
Mid Mid (pH 6-8) 2.64 6.26 -6.73 1 4 0 51 244.294 4

Activity (Go SEA)

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