UCSF

ZINC37855100

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.16 -2.72 -9.17 2 6 0 71 232.28 7
Mid Mid (pH 6-8) -1.16 -1.38 -47.27 3 6 1 76 233.288 7
Mid Mid (pH 6-8) -1.16 -0.44 -41.66 3 6 1 72 233.288 7
Lo Low (pH 4.5-6) -1.16 0.88 -111.27 4 6 2 77 234.296 7
Lo Low (pH 4.5-6) -1.16 1.44 -47.85 3 6 1 80 233.288 7

Activity (Go SEA)

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