UCSF

ZINC43260050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.21 4.32 -45.7 3 3 1 40 348.33 5
Hi High (pH 8-9.5) 3.21 4.01 -2.84 2 3 0 38 347.322 5
Lo Low (pH 4.5-6) 3.21 6.9 -121.36 4 3 2 41 349.338 5

Activity (Go SEA)

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