UCSF

ZINC12479539

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 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) 4.13 3.74 -15.49 1 5 0 71 422.476 6
Lo Low (pH 4.5-6) 4.13 12.14 -49.27 2 5 1 72 423.484 6

Activity (Go SEA)

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