UCSF

ZINC36867679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.87 -1.89 -6.8 3 7 0 100 200.198 5
Mid Mid (pH 6-8) -0.41 -3.55 -37.79 2 7 -1 103 199.19 5

Activity (Go SEA)

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