UCSF

ZINC43400118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 1.19 2.36 -6.82 3 6 0 84 294.399 8
Mid Mid (pH 6-8) 1.19 3.36 -29.31 4 6 1 85 295.407 8

Activity (Go SEA)

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