UCSF

ZINC33709478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 5.59 15.6 -57.23 2 6 1 68 519.522 9
Mid Mid (pH 6-8) 5.59 14.26 -16.19 1 6 0 63 518.514 9

Activity (Go SEA)

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