UCSF

ZINC09242508

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 0.88 1.97 -16.88 4 12 0 189 410.346 5
Mid Mid (pH 6-8) 0.57 -0.5 -44.91 2 12 -1 191 409.338 5
Lo Low (pH 4.5-6) 0.88 2.5 -65.19 5 12 1 191 411.354 5

Activity (Go SEA)

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