UCSF

ZINC23229011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 4.50 10.46 -45.38 2 4 1 37 393.338 5
Mid Mid (pH 6-8) 4.50 8.08 -7.44 1 4 0 36 392.33 5

Activity (Go SEA)

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