UCSF

ZINC62871784

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 19 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) 1.26 3.73 -42.47 2 5 1 68 259.333 3
Lo Low (pH 4.5-6) 1.26 4.14 -82.73 3 5 2 70 260.341 3

Activity (Go SEA)

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