UCSF

ZINC36723357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 10 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) -0.13 2.49 -47.68 2 3 1 50 143.21 5
Mid Mid (pH 6-8) -0.13 1.24 -6.79 1 3 0 45 142.202 5

Activity (Go SEA)

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