UCSF

ZINC34553142

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 7.05 12.46 -41.83 2 5 1 52 476.618 8
Hi High (pH 8-9.5) 7.05 10.25 -9.26 1 5 0 51 475.61 8

Activity (Go SEA)

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