UCSF

ZINC42674169

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 28 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) 2.62 9.22 -51.64 2 10 1 134 389.388 8
Mid Mid (pH 6-8) 2.62 6.78 -9.94 1 10 0 133 388.38 8

Activity (Go SEA)

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