UCSF

ZINC22135346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 4.51 9.29 -8.15 1 3 0 37 273.405 4
Lo Low (pH 4.5-6) 4.51 9.62 -24.79 2 3 1 39 274.413 4
Lo Low (pH 4.5-6) 5.44 9.62 -24.8 2 3 1 42 274.413 3

Activity (Go SEA)

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