UCSF

ZINC22628494

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 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) 0.54 1.32 -29.25 3 8 0 117 339.402 6
Hi High (pH 8-9.5) 0.99 0.2 -66.88 2 8 -1 120 338.394 6

Activity (Go SEA)

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