UCSF

ZINC26479615

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.98 7.1 -18.8 3 5 0 78 338.407 5
Hi High (pH 8-9.5) 3.98 7.96 -69.2 2 5 -1 81 337.399 5

Activity (Go SEA)

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