UCSF

ZINC19876322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 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) 1.78 5.98 -46.82 3 4 1 63 272.324 3
Hi High (pH 8-9.5) 1.78 5.59 -49.79 1 4 -1 61 270.308 3
Mid Mid (pH 6-8) 1.78 4.96 -11.54 2 4 0 59 271.316 3

Activity (Go SEA)

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