UCSF

ZINC19259268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 18 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) 3.20 5.01 -48.72 3 3 1 44 316.263 5
Mid Mid (pH 6-8) 3.20 6.82 -130.95 4 3 2 45 317.271 5
Mid Mid (pH 6-8) 3.20 6.28 -28.99 3 3 1 44 316.263 5

Activity (Go SEA)

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