UCSF

ZINC28012155

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 10 No

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) 1.52 2.13 -3.4 1 1 0 22 131.178 0
Mid Mid (pH 6-8) 1.52 3.51 -38.68 2 1 1 17 132.186 0

Activity (Go SEA)

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