UCSF

ZINC42767134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 1.46 3.97 -40.6 4 4 1 63 240.352 3
Mid Mid (pH 6-8) 1.46 1.92 -6.84 3 4 0 62 239.344 3

Activity (Go SEA)

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