UCSF

ZINC36265393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) 0.37 -1.41 -51.78 4 6 1 96 276.363 3
Mid Mid (pH 6-8) 0.83 -3.65 -67.5 3 6 0 99 275.355 3

Activity (Go SEA)

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