UCSF

ZINC44509958

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 0.53 2.94 -50.8 2 5 1 74 246.356 5
Hi High (pH 8-9.5) 0.53 0.74 -16.04 1 5 0 73 245.348 5
Hi High (pH 8-9.5) 0.53 2.83 -33.56 1 5 0 76 245.348 5

Activity (Go SEA)

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