UCSF

ZINC10112082

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 29 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) 2.38 6.66 -59.19 0 7 -1 89 434.925 4
Mid Mid (pH 6-8) 2.38 6.15 -23.47 1 7 0 87 435.933 4

Activity (Go SEA)

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