UCSF

ZINC36749319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 0.43 7.71 -44.43 2 8 1 95 265.297 6
Mid Mid (pH 6-8) 0.43 7.2 -15.81 1 8 0 94 264.289 6

Activity (Go SEA)

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