UCSF

ZINC21784807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 3.44 5.69 -37.24 1 5 -1 78 348.354 4
Mid Mid (pH 6-8) 2.98 6.8 -10.48 2 5 0 75 349.362 4
Mid Mid (pH 6-8) 2.98 6.24 -14.85 2 5 0 75 349.362 4

Activity (Go SEA)

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