UCSF

ZINC36221992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.59 6.92 -13.5 2 4 0 53 239.278 2
Mid Mid (pH 6-8) 2.59 7.22 -24.29 3 4 1 54 240.286 2

Activity (Go SEA)

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