UCSF

ZINC19335212

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 23 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) -0.21 0.85 -11.1 1 6 0 64 321.352 4
Ref Reference (pH 7) -0.21 0.92 -11.81 1 6 0 64 321.352 4
Mid Mid (pH 6-8) -0.21 3.21 -44.94 2 6 1 65 322.36 4
Mid Mid (pH 6-8) -0.21 3.2 -44.94 2 6 1 65 322.36 4

Activity (Go SEA)

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