UCSF

ZINC19715651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 27 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) 2.98 9.29 -47.33 2 6 1 64 370.452 6
Hi High (pH 8-9.5) 2.98 6.91 -14.31 1 6 0 63 369.444 6

Activity (Go SEA)

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