UCSF

ZINC04147990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 35 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) -0.06 -2.72 -24.69 2 11 0 133 482.541 8
Lo Low (pH 4.5-6) -0.06 -2.61 -51.14 3 11 1 135 483.549 8

Activity (Go SEA)

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