UCSF

ZINC35834368

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 2.06 12.21 -50.81 2 9 1 92 495.648 9
Hi High (pH 8-9.5) 2.24 9.89 -51.69 1 9 0 98 494.64 9

Activity (Go SEA)

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