UCSF

ZINC37011428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.24 6.84 -44.13 2 6 1 75 294.375 7
Mid Mid (pH 6-8) 2.24 8.63 -124.14 3 6 2 76 295.383 7
Mid Mid (pH 6-8) 2.24 7.34 -35.5 2 6 1 72 294.375 7

Activity (Go SEA)

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