UCSF

ZINC51482612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 16 Yes

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) 0.96 4.97 -40.9 2 4 1 42 224.328 6
Hi High (pH 8-9.5) 0.96 3.5 -4.57 1 4 0 37 223.32 6
Mid Mid (pH 6-8) 0.96 5.49 -92.68 3 4 2 43 225.336 6

Activity (Go SEA)

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