UCSF

ZINC44721430

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 1.49 5.26 -29.21 2 3 1 26 225.356 4
Hi High (pH 8-9.5) 1.49 2.88 -1.97 1 3 0 24 224.348 4
Lo Low (pH 4.5-6) 1.49 6.49 -105.54 3 3 2 30 226.364 4

Activity (Go SEA)

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