UCSF

ZINC39914212

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 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) 5.94 9.42 -8.75 2 5 0 69 450.753 4
Mid Mid (pH 6-8) 5.94 10.19 -44.28 1 5 -1 72 449.745 4

Activity (Go SEA)

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