UCSF

ZINC49752152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.11 6.24 -55.75 1 6 1 67 298.407 9
Mid Mid (pH 6-8) -0.11 4.6 -14.83 0 6 0 66 297.399 9

Activity (Go SEA)

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