UCSF

ZINC23373030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 3.08 7.29 -46.72 2 3 1 28 365.419 6
Mid Mid (pH 6-8) 3.08 7.17 -42.37 2 3 1 28 365.419 6
Mid Mid (pH 6-8) 3.08 5.02 -7.34 1 3 0 27 364.411 6

Activity (Go SEA)

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