UCSF

ZINC62995734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 5.03 8.5 -33.47 4 3 1 42 302.829 3
Mid Mid (pH 6-8) 5.03 7.86 -3.98 3 3 0 41 301.821 3

Activity (Go SEA)

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