UCSF

ZINC34000456

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 34 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) 3.02 11.26 -55.26 2 7 1 68 476.626 5
Hi High (pH 8-9.5) 3.02 8.99 -16.96 1 7 0 66 475.618 5

Activity (Go SEA)

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