UCSF

ZINC50053723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) -0.39 4.61 -53.4 2 6 1 84 242.299 9
Hi High (pH 8-9.5) -0.39 2.57 -17.94 1 6 0 82 241.291 9

Activity (Go SEA)

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