UCSF

ZINC39949376

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 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) -1.59 8.98 -41.84 1 7 1 96 394.432 4
Mid Mid (pH 6-8) -0.95 8.55 -26.74 0 7 0 102 393.424 3

Activity (Go SEA)

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