UCSF

ZINC22041316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 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) 4.51 12.96 -36.67 1 2 1 8 383.606 2
Hi High (pH 8-9.5) 4.51 10.58 -4.11 0 2 0 6 382.598 2

Activity (Go SEA)

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