UCSF

ZINC43260973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 4.25 6.33 -43.41 3 2 1 31 358.369 3
Hi High (pH 8-9.5) 4.25 8.47 -31.29 3 2 1 30 358.369 3
Hi High (pH 8-9.5) 4.25 6.04 -1.63 2 2 0 29 357.361 3
Lo Low (pH 4.5-6) 4.25 8.88 -121.77 4 2 2 32 359.377 3

Activity (Go SEA)

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