UCSF

ZINC22628715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 25 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) 1.12 3.37 -24.29 3 8 0 117 379.467 7
Hi High (pH 8-9.5) 1.58 2.25 -60.23 2 8 -1 120 378.459 7

Activity (Go SEA)

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