UCSF

ZINC34602410

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 35 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) 0.38 13.57 -63.66 0 14 -1 164 485.481 9
Lo Low (pH 4.5-6) 0.38 11.59 -26.61 1 14 0 161 486.489 9

Activity (Go SEA)

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