UCSF

ZINC06304655

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.28 4.58 -57.54 1 5 -1 78 326.303 4
Lo Low (pH 4.5-6) 2.28 3.81 -14.01 2 5 0 76 327.311 4

Activity (Go SEA)

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