UCSF

ZINC43240589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 0.61 0.6 -47.73 4 3 1 51 241.38 3
Hi High (pH 8-9.5) 0.61 0.22 -4.04 3 3 0 49 240.372 3
Hi High (pH 8-9.5) 0.61 2.09 -29.39 4 3 1 51 241.38 3

Activity (Go SEA)

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