UCSF

ZINC22728486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 No

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) 0.04 2.34 -16.99 2 6 0 84 319.336 3
Mid Mid (pH 6-8) 0.04 4.76 -56.86 3 6 1 85 320.344 3
Mid Mid (pH 6-8) 0.04 4.77 -50.99 3 6 1 85 320.344 3

Activity (Go SEA)

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