UCSF

ZINC52278629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 11 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) 0.90 4.65 -39.82 2 3 1 43 158.221 5
Hi High (pH 8-9.5) 0.90 3.29 -4.72 1 3 0 38 157.213 5

Activity (Go SEA)

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