UCSF

ZINC42908570

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.84 -0.01 -45.45 4 4 1 54 278.42 5
Mid Mid (pH 6-8) 0.84 2.33 -100.93 5 4 2 56 279.428 5
Mid Mid (pH 6-8) 0.84 2.33 -115.19 5 4 2 56 279.428 5

Activity (Go SEA)

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