UCSF

ZINC44648071

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.32 6.84 -50.02 3 5 1 64 259.333 6
Hi High (pH 8-9.5) 1.32 5.5 -11.07 2 5 0 59 258.325 6
Mid Mid (pH 6-8) 1.32 7.36 -87.65 4 5 2 65 260.341 6

Activity (Go SEA)

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