UCSF

ZINC37318619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 5.77 10.12 -36.6 2 2 1 20 295.535 11
Mid Mid (pH 6-8) 5.77 12.33 -104.1 3 2 2 21 296.543 11

Activity (Go SEA)

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