UCSF

ZINC42171088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.87 3.73 -34.43 2 4 1 40 238.355 4
Mid Mid (pH 6-8) 1.87 5.96 -89.52 3 4 2 41 239.363 4

Activity (Go SEA)

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