UCSF

ZINC34590202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 2.17 3.86 -48.4 4 5 1 76 318.393 9
Mid Mid (pH 6-8) 2.17 2.41 -11.41 3 5 0 71 317.385 9

Activity (Go SEA)

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