UCSF

ZINC13127463

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) 3.39 11.82 -8.76 1 5 0 52 320.396 3
Mid Mid (pH 6-8) 3.57 12.83 -111.91 3 5 2 58 322.412 3
Lo Low (pH 4.5-6) 3.57 11.91 -42.94 2 5 1 56 321.404 3

Activity (Go SEA)

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