UCSF

ZINC65396480

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 19 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) 2.28 4.02 -37.02 4 4 1 66 269.409 5
Hi High (pH 8-9.5) 2.28 2.78 -7.65 3 4 0 61 268.401 5

Activity (Go SEA)

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