UCSF

ZINC25595637

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 15 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) 2.06 4.45 -9.4 1 3 0 42 224.691 3
Mid Mid (pH 6-8) 2.13 2.62 -5.76 1 3 0 45 224.691 3

Activity (Go SEA)

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