UCSF

ZINC36222236

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) 3.10 6.7 -10.84 2 5 0 62 287.706 1
Mid Mid (pH 6-8) 3.10 7.11 -31.1 3 5 1 63 288.714 1

Activity (Go SEA)

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