UCSF

ZINC34968659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 2.23 8.41 -12.77 0 6 0 57 448.361 7
Mid Mid (pH 6-8) 2.23 10.63 -54.76 1 6 1 58 449.369 7

Activity (Go SEA)

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