UCSF

ZINC11775268

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2008 25 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) 3.49 9.8 -104.79 3 4 2 38 350.547 9
Hi High (pH 8-9.5) 3.49 8.22 -38.06 2 4 1 37 349.539 9
Mid Mid (pH 6-8) 3.49 7.57 -37.43 2 4 1 37 349.539 9

Activity (Go SEA)

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