UCSF

ZINC20094081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.16 7.21 -42.78 3 3 1 37 285.411 6
Hi High (pH 8-9.5) 3.16 5.18 -6.62 2 3 0 35 284.403 6
Lo Low (pH 4.5-6) 3.16 8.32 -129.28 4 3 2 41 286.419 6

Activity (Go SEA)

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