UCSF

ZINC40504201

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 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) -0.12 -2.51 -91.83 7 5 2 94 256.346 8
Hi High (pH 8-9.5) -0.12 -1.81 -36.51 6 5 1 97 255.338 8

Activity (Go SEA)

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