UCSF

ZINC20087722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.70 8.02 -43.67 2 4 1 44 260.361 6
Hi High (pH 8-9.5) 1.70 6.84 -7.21 1 4 0 39 259.353 6
Lo Low (pH 4.5-6) 1.70 8.51 -82.87 3 4 2 45 261.369 6

Activity (Go SEA)

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