UCSF

ZINC20432961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 20 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) 5.35 7.25 -6.02 1 2 0 33 287.428 2
Hi High (pH 8-9.5) 5.35 8.02 -42.09 0 2 -1 36 286.42 2
Lo Low (pH 4.5-6) 5.35 7.61 -28.8 2 2 1 34 288.436 2

Activity (Go SEA)

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