UCSF

ZINC59501456

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 11 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) 0.07 3.14 -55.97 3 3 0 68 155.197 1
Hi High (pH 8-9.5) 0.07 2.96 -46.26 2 3 -1 66 154.189 1

Activity (Go SEA)

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