UCSF

ZINC21640292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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 11.05 -6.55 0 4 0 32 350.51 4
Mid Mid (pH 6-8) 4.50 13.38 -46.32 1 4 1 33 351.518 4
Mid Mid (pH 6-8) 4.50 11.35 -32.18 1 4 1 34 351.518 4

Activity (Go SEA)

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