UCSF

ZINC50213669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) -0.58 4.13 -64.41 1 7 0 90 207.193 3
Mid Mid (pH 6-8) -0.58 3.7 -54.64 0 7 -1 89 206.185 3

Activity (Go SEA)

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