UCSF

ZINC43800590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.63 0.15 -52.56 3 6 1 67 272.369 4
Hi High (pH 8-9.5) -0.63 -1.21 -10.09 2 6 0 63 271.361 4
Mid Mid (pH 6-8) -0.63 2.1 -110.8 4 6 2 69 273.377 4

Activity (Go SEA)

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