UCSF

ZINC41679337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 No

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) -0.25 3.49 -38.44 2 6 1 76 242.299 6
Mid Mid (pH 6-8) 0.21 0.82 -52.01 1 6 0 79 241.291 6

Activity (Go SEA)

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