UCSF

ZINC06813956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 1.64 4.59 -17.39 2 6 0 87 367.401 8
Mid Mid (pH 6-8) 1.05 5.28 -23.85 1 6 0 84 367.401 8

Activity (Go SEA)

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