UCSF

ZINC19884252

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) 3.65 11.42 -74.08 1 5 0 65 461.331 7
Lo Low (pH 4.5-6) 3.65 10.6 -54.43 2 5 1 62 462.339 7

Activity (Go SEA)

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