UCSF

ZINC33509697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 38 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) 3.68 11.29 -56.71 0 8 -1 101 513.57 9
Lo Low (pH 4.5-6) 3.68 9.99 -21.69 1 8 0 98 514.578 9
Lo Low (pH 4.5-6) 3.68 10.43 -53.9 2 8 1 99 515.586 9

Activity (Go SEA)

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