UCSF

ZINC43978401

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 1.39 5.38 -82.84 3 4 2 34 271.449 5
Hi High (pH 8-9.5) 1.39 4.98 -31.54 2 4 1 29 270.441 5
Lo Low (pH 4.5-6) 1.39 7.26 -195.48 4 4 3 35 272.457 5
Lo Low (pH 4.5-6) 1.39 5.02 -113.68 3 4 2 34 271.449 5

Activity (Go SEA)

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