UCSF

ZINC06656910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 25 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) 2.67 9.19 -14.42 1 7 0 82 339.399 3
Mid Mid (pH 6-8) 2.85 9.47 -33.65 2 7 1 87 340.407 3

Activity (Go SEA)

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