UCSF

ZINC22087799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 4.18 11.8 -33.78 1 6 0 72 429.929 7
Hi High (pH 8-9.5) 3.70 10.88 -70.15 0 6 -1 78 428.921 7

Activity (Go SEA)

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