UCSF

ZINC45905990

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 22 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) 3.58 10.62 -10.94 0 3 0 33 296.414 7
Lo Low (pH 4.5-6) 3.58 11.08 -46.46 1 3 1 34 297.422 7

Activity (Go SEA)

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