UCSF

ZINC43402427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.56 2.34 -48.89 3 6 1 84 264.353 4
Hi High (pH 8-9.5) 1.56 2.1 -10.05 2 6 0 83 263.345 4
Lo Low (pH 4.5-6) 1.56 2.44 -87.74 4 6 2 86 265.361 4

Activity (Go SEA)

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