UCSF

ZINC44691178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.72 6.62 -37.43 2 3 1 35 382.116 7
Hi High (pH 8-9.5) 3.72 5.37 -3.44 1 3 0 30 381.108 7

Activity (Go SEA)

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