UCSF

ZINC34940087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.24 9.82 -115.91 3 3 2 24 295.858 3
Hi High (pH 8-9.5) 3.24 6.28 -2.07 1 3 0 19 293.842 3
Mid Mid (pH 6-8) 3.24 7.95 -34.37 2 3 1 23 294.85 3
Mid Mid (pH 6-8) 3.24 8.66 -31.04 2 3 1 20 294.85 3

Activity (Go SEA)

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