UCSF

ZINC53651526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 3.21 9.88 -103.75 3 2 2 21 266.404 5
Mid Mid (pH 6-8) 3.21 7.24 -36.66 2 2 1 20 265.396 5

Activity (Go SEA)

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