UCSF

ZINC20485875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 4.98 9.89 -6.33 0 3 0 33 284.403 8
Lo Low (pH 4.5-6) 4.98 10.26 -30.07 1 3 1 34 285.411 8

Activity (Go SEA)

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