UCSF

ZINC23310305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 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) 6.05 12.97 -7.13 0 3 0 29 353.416 2
Mid Mid (pH 6-8) 6.05 13.29 -29.85 1 3 1 30 354.424 2

Activity (Go SEA)

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