UCSF

ZINC35834382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 1.14 6.47 -18.01 1 9 0 91 470.549 6
Mid Mid (pH 6-8) 1.14 8.69 -53.9 2 9 1 92 471.557 6

Activity (Go SEA)

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