UCSF

ZINC06290293

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.72 4.21 -18.07 3 6 0 85 313.357 6
Lo Low (pH 4.5-6) 1.72 4.95 -32.38 4 6 0 86 314.365 6

Activity (Go SEA)

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