UCSF

ZINC57862365

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 27 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) 4.81 8.34 -41.96 2 7 1 72 384.541 7
Hi High (pH 8-9.5) 4.81 6.26 -10 1 7 0 71 383.533 7

Activity (Go SEA)

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