UCSF

ZINC34825985

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 4.87 12.67 -48.04 1 5 1 49 476.618 8
Hi High (pH 8-9.5) 4.87 10.47 -16.07 0 5 0 48 475.61 8

Activity (Go SEA)

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