UCSF

ZINC63360916

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2011 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) 1.21 9.76 -39.03 3 6 0 95 349.39 5
Mid Mid (pH 6-8) 1.21 9.03 -62.28 3 6 0 91 349.39 5
Mid Mid (pH 6-8) 1.21 8.59 -50.17 2 6 -1 90 348.382 5
Lo Low (pH 4.5-6) 1.21 10.22 -82.98 4 6 1 96 350.398 5

Activity (Go SEA)

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