UCSF

ZINC36132040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 1.54 5.82 -27.9 3 4 1 56 241.318 2
Mid Mid (pH 6-8) 1.54 5.39 -8.39 2 4 0 55 240.31 2
Lo Low (pH 4.5-6) 1.54 6.27 -79.07 4 4 2 58 242.326 2

Activity (Go SEA)

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