UCSF

ZINC19624572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 1.36 -0.65 -16.72 4 7 0 117 312.329 3
Lo Low (pH 4.5-6) 1.36 0.34 -60.4 5 7 1 119 313.337 3

Activity (Go SEA)

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