UCSF

ZINC49601301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 26 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) 4.20 11.84 -94.24 2 5 2 44 350.466 4
Mid Mid (pH 6-8) 4.20 9.63 -25.19 1 5 1 43 349.458 4
Mid Mid (pH 6-8) 4.20 9.29 -8.73 0 5 0 41 348.45 4
Lo Low (pH 4.5-6) 4.20 11.84 -81.03 2 5 2 44 350.466 4

Activity (Go SEA)

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