UCSF

ZINC54489643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 16 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) 1.96 6.02 -52.88 1 5 -1 72 229.3 7
Lo Low (pH 4.5-6) 1.96 4.05 -13.47 2 5 0 70 230.308 7

Activity (Go SEA)

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