UCSF

ZINC21242948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 30 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) 3.67 12.01 -19.28 1 7 0 82 437.55 8
Hi High (pH 8-9.5) 3.85 10.94 -46.42 0 7 -1 88 436.542 8

Activity (Go SEA)

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