UCSF

ZINC12232304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 32 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) 1.80 6.33 -58.05 2 9 1 100 461.564 7
Hi High (pH 8-9.5) 1.80 3.85 -19.54 1 9 0 99 460.556 7

Activity (Go SEA)

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