UCSF

ZINC12412042

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 24 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) 3.35 6.05 -57.34 1 5 -1 82 319.34 3
Mid Mid (pH 6-8) 3.35 5.59 -51.62 1 5 -1 82 319.34 3
Mid Mid (pH 6-8) 3.35 5.18 -14.1 2 5 0 79 320.348 3

Activity (Go SEA)

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