UCSF

ZINC06304682

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 27 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) 2.34 4.94 -60.31 1 7 -1 105 366.349 6
Lo Low (pH 4.5-6) 2.34 4.17 -19.75 2 7 0 102 367.357 6

Activity (Go SEA)

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