UCSF

ZINC35253351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 2.74 10.41 -48.86 2 3 1 34 270.4 4
Mid Mid (pH 6-8) 2.74 10.92 -87.91 3 3 2 36 271.408 4

Activity (Go SEA)

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