UCSF

ZINC06782998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 4.94 11.76 -58.59 0 4 -1 60 380.439 8
Mid Mid (pH 6-8) 5.39 1.81 -16.17 1 4 0 57 381.447 7

Activity (Go SEA)

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