UCSF

ZINC39886175

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 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) 5.56 10.55 -12.31 1 6 0 91 381.457 4
Mid Mid (pH 6-8) 6.01 8.97 -41.54 0 6 -1 94 380.449 4

Activity (Go SEA)

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