UCSF

ZINC04522277

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 9 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) 1.27 4.35 -3.7 0 1 0 13 139.223 2
Hi High (pH 8-9.5) 1.27 4.9 -47.64 0 1 -1 13 138.215 2
Lo Low (pH 4.5-6) 1.27 4.63 -31.55 1 1 1 14 140.231 2

Activity (Go SEA)

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