UCSF

ZINC38557452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 28 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) 3.94 12.37 -51.38 2 4 1 54 383.487 5
Mid Mid (pH 6-8) 3.94 10.11 -14.82 1 4 0 53 382.479 5

Activity (Go SEA)

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