UCSF

ZINC46379598

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.58 5.57 -46.14 2 4 1 43 237.323 6
Hi High (pH 8-9.5) 0.58 3.11 -9.79 1 4 0 42 236.315 6

Activity (Go SEA)

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