UCSF

ZINC43436985

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.89 9.55 -55.77 0 6 -1 84 289.311 6
Lo Low (pH 4.5-6) 2.89 10.15 -54 1 6 0 86 290.319 6

Activity (Go SEA)

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