UCSF

ZINC34669969

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 1.65 5.92 -50.58 3 6 1 71 327.408 5
Hi High (pH 8-9.5) 1.65 4.65 -12.98 2 6 0 66 326.4 5
Lo Low (pH 4.5-6) 1.65 6.29 -104.93 4 6 2 72 328.416 5

Activity (Go SEA)

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