UCSF

ZINC01312460

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 30 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) 4.70 8.81 -52.32 0 6 -1 88 423.807 3
Lo Low (pH 4.5-6) 4.24 11.28 -11.99 1 6 0 85 424.815 3

Activity (Go SEA)

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