UCSF

ZINC20079225

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) 3.36 9.38 -10.48 0 3 0 35 256.692 2
Lo Low (pH 4.5-6) 3.36 9.84 -41.43 1 3 1 36 257.7 2

Activity (Go SEA)

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