UCSF

ZINC39870099

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.28 12.16 -14.23 1 3 0 42 405.35 6
Mid Mid (pH 6-8) 7.28 11.68 -44.02 0 3 -1 44 404.342 6

Activity (Go SEA)

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