UCSF

ZINC44650681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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 3.39 -43.44 3 5 1 66 228.316 5
Hi High (pH 8-9.5) -0.53 2.03 -16.01 2 5 0 61 227.308 5

Activity (Go SEA)

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