UCSF

ZINC09360263

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 25 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) 1.42 6.12 -58.57 0 8 -1 113 339.283 4
Lo Low (pH 4.5-6) 1.42 5.31 -16.49 1 8 0 110 340.291 4

Activity (Go SEA)

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