UCSF

ZINC02614488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 33 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) 6.20 11.22 -22.07 2 6 0 87 474.611 6
Mid Mid (pH 6-8) 6.66 9.98 -52.87 1 6 -1 90 473.603 6

Activity (Go SEA)

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