UCSF

ZINC43392547

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 5.18 10.33 -55.57 2 1 1 17 314.758 5
Mid Mid (pH 6-8) 5.18 9.4 -5.59 1 1 0 12 313.75 5

Activity (Go SEA)

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