UCSF

ZINC34676313

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 37 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) 2.28 11.29 -17.78 0 9 0 82 508.667 9
Mid Mid (pH 6-8) 2.28 13.49 -66.22 1 9 1 83 509.675 9

Activity (Go SEA)

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