UCSF

ZINC43241194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.62 0.93 -37.88 4 3 1 51 229.369 5
Hi High (pH 8-9.5) 0.62 2.61 -31.08 4 3 1 51 229.369 5
Hi High (pH 8-9.5) 0.62 0.58 -4.29 3 3 0 49 228.361 5

Activity (Go SEA)

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