UCSF

ZINC37990604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.16 -0.52 -10.26 1 6 0 72 319.814 5
Mid Mid (pH 6-8) 1.16 1.6 -48.39 2 6 1 73 320.822 5

Activity (Go SEA)

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