UCSF

ZINC44722778

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 0.22 1.82 -35.62 3 4 1 46 198.29 4
Hi High (pH 8-9.5) 0.22 -0.63 -8.66 2 4 0 44 197.282 4
Lo Low (pH 4.5-6) 0.22 3.06 -109.71 4 4 2 50 199.298 4

Activity (Go SEA)

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