UCSF

ZINC45620589

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.87 3.4 -33.08 2 3 1 28 213.345 5
Hi High (pH 8-9.5) 0.87 1.11 -3.12 1 3 0 27 212.337 5
Hi High (pH 8-9.5) 0.87 3.34 -29.94 2 3 1 28 213.345 5

Activity (Go SEA)

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