UCSF

ZINC40402694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) 3.13 8.59 -57.82 0 5 -1 67 289.355 7
Mid Mid (pH 6-8) 3.13 9.02 -51.24 1 5 0 68 290.363 7

Activity (Go SEA)

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