UCSF

ZINC09312483

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 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) 3.08 7.82 -61.07 0 7 -1 88 436.484 8
Mid Mid (pH 6-8) 2.49 -0.79 -13.71 0 7 0 82 437.492 8
Mid Mid (pH 6-8) 3.52 7.55 -12.96 1 7 0 85 437.492 7

Activity (Go SEA)

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