UCSF

ZINC21664341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 2.51 5.03 -51.21 4 8 1 104 461.608 10
Hi High (pH 8-9.5) 2.51 5.1 -66.57 3 8 0 106 460.6 10
Hi High (pH 8-9.5) 2.51 3.62 -15.73 3 8 0 100 460.6 10

Activity (Go SEA)

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