UCSF

ZINC44509384

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 2.69 5.07 -33.27 0 4 -1 72 251.331 5
Mid Mid (pH 6-8) 2.69 4.73 -12.5 1 4 0 70 252.339 5

Activity (Go SEA)

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