UCSF

ZINC35746160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 33 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) 4.06 9.28 -53.3 3 7 1 89 474.647 11
Hi High (pH 8-9.5) 4.51 6.5 -48.93 2 7 0 92 473.639 11

Activity (Go SEA)

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