UCSF

ZINC23281577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 22 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) 2.70 7.01 -42.27 2 4 1 43 300.378 4
Mid Mid (pH 6-8) 2.70 4.62 -10.52 1 4 0 42 299.37 4

Activity (Go SEA)

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