UCSF

ZINC34622713

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.91 5.92 -14.25 2 5 0 76 328.364 5
Hi High (pH 8-9.5) 3.91 6.93 -57.76 1 5 -1 79 327.356 5

Activity (Go SEA)

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