UCSF

ZINC33705199

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 2.13 12.05 -19.84 0 7 0 80 424.508 7
Lo Low (pH 4.5-6) 2.13 12.49 -48.44 1 7 1 81 425.516 7

Activity (Go SEA)

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