UCSF

ZINC19834583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 0.74 3.31 -39.25 3 8 1 90 338.384 7
Hi High (pH 8-9.5) 0.74 2.48 -46.47 3 8 1 94 338.384 7
Hi High (pH 8-9.5) 0.74 1.06 -10.5 2 8 0 89 337.376 7

Activity (Go SEA)

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