UCSF

ZINC04982707

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 23 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) 3.04 8.76 -31.64 1 4 1 36 313.421 5
Lo Low (pH 4.5-6) 3.04 9.04 -95.27 2 4 2 37 314.429 5

Activity (Go SEA)

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