UCSF

ZINC23127400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 29 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) 3.10 8.6 -45.29 3 6 1 76 395.527 5
Lo Low (pH 4.5-6) 3.10 8.97 -76.57 4 6 2 77 396.535 5

Activity (Go SEA)

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