UCSF

ZINC22173266

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.76 4.52 -124.5 4 5 2 60 282.384 6
Hi High (pH 8-9.5) 0.76 2.89 -44.08 3 5 1 59 281.376 6
Hi High (pH 8-9.5) 0.76 4.04 -31.36 3 5 1 58 281.376 6

Activity (Go SEA)

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