UCSF

ZINC09240974

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 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) 7.11 15.09 -61.29 0 5 -1 73 499.587 5
Mid Mid (pH 6-8) 7.56 14.97 -24.23 1 5 0 71 500.595 4

Activity (Go SEA)

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