UCSF

ZINC20077290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 2.73 7.85 -21.91 2 3 0 44 253.33 2
Lo Low (pH 4.5-6) 2.73 8.28 -32.29 3 3 1 45 254.338 2

Activity (Go SEA)

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