UCSF

ZINC36769713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 4.35 6.28 -1.83 2 3 0 38 296.499 2
Mid Mid (pH 6-8) 4.35 8.61 -124.68 4 3 2 41 298.515 2
Lo Low (pH 4.5-6) 4.35 8.49 -33.57 3 3 1 40 297.507 2

Activity (Go SEA)

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