UCSF

ZINC04914011

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.56 -3.96 -53.27 1 6 -1 99 311.726 4
Hi High (pH 8-9.5) 2.56 -3.4 -91.74 0 6 -2 101 310.718 4

Activity (Go SEA)

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