UCSF

ZINC19731722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 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) -1.02 -1.73 -18.42 3 7 0 110 297.336 4
Ref Reference (pH 7) -1.02 -1.72 -16.31 3 7 0 110 297.336 4
Mid Mid (pH 6-8) -1.02 -0.58 -70.06 4 7 1 114 298.344 4

Activity (Go SEA)

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