UCSF

ZINC40143468

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 4.96 13.51 -52.91 2 4 1 46 410.538 6
Hi High (pH 8-9.5) 5.03 12.08 -69.12 1 4 0 53 409.53 6

Activity (Go SEA)

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