UCSF

ZINC09380620

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) 5.10 11.84 -61.26 0 6 -1 79 464.582 11
Mid Mid (pH 6-8) 5.55 11.11 -26.53 1 6 0 76 465.59 10
Mid Mid (pH 6-8) 4.52 1.02 -20.08 0 6 0 72 465.59 11

Activity (Go SEA)

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