UCSF

ZINC09379781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 4.50 12.52 -59.44 0 8 -1 109 503.556 9
Mid Mid (pH 6-8) 3.92 1.28 -20.86 0 8 0 102 504.564 9
Mid Mid (pH 6-8) 4.95 12.06 -20.63 1 8 0 106 504.564 8

Activity (Go SEA)

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