UCSF

ZINC09375081

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 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) 1.22 4.87 -69.08 1 11 -1 154 471.442 11
Mid Mid (pH 6-8) 0.63 -1.94 -18.5 1 11 0 148 472.45 11
Mid Mid (pH 6-8) 1.66 5 -27.34 2 11 0 151 472.45 10

Activity (Go SEA)

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