UCSF

ZINC40588955

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 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) -2.32 0.58 -52.16 1 7 -1 87 270.309 3
Mid Mid (pH 6-8) -2.32 2.87 -53.45 2 7 0 88 271.317 3

Activity (Go SEA)

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