UCSF

ZINC14339420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2008 22 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) 2.42 5.62 -16.28 2 4 0 65 292.338 4
Mid Mid (pH 6-8) 2.42 6.07 -34.48 3 4 1 66 293.346 4

Activity (Go SEA)

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