UCSF

ZINC42166542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.34 6.31 -40.69 3 5 1 62 275.376 4
Mid Mid (pH 6-8) 2.34 6.44 -79.55 4 5 2 63 276.384 4

Activity (Go SEA)

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