UCSF

ZINC44722671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.21 3.7 -36.26 3 4 1 46 236.339 5
Hi High (pH 8-9.5) 0.39 2.37 -75.44 3 4 1 56 236.339 5
Lo Low (pH 4.5-6) 0.21 2.44 -38.71 3 4 1 49 236.339 5
Lo Low (pH 4.5-6) 0.21 4.78 -104.09 4 4 2 50 237.347 5

Activity (Go SEA)

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