UCSF

ZINC09272133

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 3.39 7.99 -62.79 0 7 -1 88 436.484 11
Mid Mid (pH 6-8) 3.84 7.45 -28.24 1 7 0 85 437.492 10
Mid Mid (pH 6-8) 2.81 8.42 -21.96 0 7 0 82 437.492 11

Activity (Go SEA)

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