UCSF

ZINC44609253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 0.45 2.52 -40.48 2 3 1 33 226.369 3
Hi High (pH 8-9.5) 0.45 1.02 -5.06 1 3 0 28 225.361 3
Lo Low (pH 4.5-6) 0.45 4.81 -105.77 3 3 2 34 227.377 3

Activity (Go SEA)

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