UCSF

ZINC09310185

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 32 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) 3.52 10.15 -57.88 0 9 -1 128 450.452 7
Mid Mid (pH 6-8) 3.97 9.09 -35.23 1 9 0 126 451.46 6

Activity (Go SEA)

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