UCSF

ZINC21805479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 0.76 3.57 -47.25 3 4 1 55 306.304 7
Hi High (pH 8-9.5) 0.76 3.28 -4.67 2 4 0 54 305.296 7

Activity (Go SEA)

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