UCSF

ZINC51397895

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 2.19 7.12 -42.94 3 3 1 44 242.346 4
Hi High (pH 8-9.5) 2.19 6.72 -6.31 2 3 0 42 241.338 4
Lo Low (pH 4.5-6) 2.19 7.17 -26.82 3 3 1 43 242.346 4
Lo Low (pH 4.5-6) 2.19 7.56 -109.12 4 3 2 45 243.354 4

Activity (Go SEA)

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