UCSF

ZINC34663922

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 1.47 7.5 -47.77 2 3 1 34 216.308 3
Hi High (pH 8-9.5) 1.47 6.32 -6.33 1 3 0 30 215.3 3
Mid Mid (pH 6-8) 1.47 7.97 -80.19 3 3 2 36 217.316 3

Activity (Go SEA)

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