UCSF

ZINC15082041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 22 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) 0.50 1.73 -18.56 5 7 0 120 318.358 4
Lo Low (pH 4.5-6) 0.50 1.96 -47.95 6 7 1 122 319.366 4

Activity (Go SEA)

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