UCSF

ZINC20265041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 2.26 6.39 -60.18 0 9 -1 105 483.541 10
Mid Mid (pH 6-8) 2.26 8.79 -69.73 1 9 0 106 484.549 10
Lo Low (pH 4.5-6) 2.26 7.97 -51.95 2 9 1 103 485.557 10

Activity (Go SEA)

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