UCSF

ZINC26512202

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.19 6.73 -11.05 2 4 0 57 250.305 3
Lo Low (pH 4.5-6) 2.19 6.85 -34.81 3 4 1 58 251.313 3

Activity (Go SEA)

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