UCSF

ZINC03358109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 No

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) 2.77 11.75 -19 1 6 0 72 345.406 3
Mid Mid (pH 6-8) 2.77 12.59 -52.11 3 6 1 76 346.414 3
Lo Low (pH 4.5-6) 2.77 12.07 -39.03 2 6 1 74 346.414 3
Lo Low (pH 4.5-6) 2.77 12.28 -35.05 2 6 1 73 346.414 3

Activity (Go SEA)

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