UCSF

ZINC23995893

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 18 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) 0.48 0.47 -22.9 2 6 0 74 268.342 3
Mid Mid (pH 6-8) 0.30 1.73 -37.28 2 6 0 82 268.342 3
Mid Mid (pH 6-8) 0.48 2.67 -59.35 3 6 1 76 269.35 3

Activity (Go SEA)

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