UCSF

ZINC36222046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 3.37 8.76 -22.84 3 4 1 54 268.34 3
Mid Mid (pH 6-8) 3.37 8.44 -13.1 2 4 0 53 267.332 3

Activity (Go SEA)

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