UCSF

ZINC34588595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 1.40 5.83 -70.27 1 6 -1 92 262.241 3
Hi High (pH 8-9.5) 1.40 6.82 -139.45 0 6 -2 94 261.233 3
Lo Low (pH 4.5-6) 1.40 4.55 -32.35 2 6 0 95 263.249 3

Activity (Go SEA)

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