UCSF

ZINC36204971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.15 4.52 -44.88 3 4 1 55 274.34 6
Mid Mid (pH 6-8) 1.15 4.14 -6.91 2 4 0 54 273.332 6

Activity (Go SEA)

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