UCSF

ZINC37986532

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) -0.12 -0.18 -14.9 1 8 0 100 321.38 3
Mid Mid (pH 6-8) 0.34 -2.37 -43.39 0 8 -1 103 320.372 3

Activity (Go SEA)

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