UCSF

ZINC43441622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.22 4.32 -12.34 3 6 0 94 279.34 7
Lo Low (pH 4.5-6) 1.22 4.74 -33.22 4 6 1 96 280.348 7

Activity (Go SEA)

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