UCSF

ZINC54127443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 0.53 2.39 -66.7 2 7 0 104 276.314 7
Hi High (pH 8-9.5) 0.53 0.06 -49.31 1 7 -1 103 275.306 7

Activity (Go SEA)

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