UCSF

ZINC13127621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 3.58 12.16 -15.28 0 5 0 52 318.38 3
Mid Mid (pH 6-8) 3.58 13.05 -46.43 2 5 1 56 319.388 3
Lo Low (pH 4.5-6) 3.58 12.48 -35.12 1 5 1 54 319.388 3

Activity (Go SEA)

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