UCSF

ZINC19883932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 3.52 11.3 -73.89 1 5 0 65 416.88 7
Lo Low (pH 4.5-6) 3.52 10.48 -54.26 2 5 1 62 417.888 7

Activity (Go SEA)

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