UCSF

ZINC20442217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 18 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) 1.49 5.35 -112.58 4 3 2 35 253.434 2
Hi High (pH 8-9.5) 1.49 2.93 -43.92 3 3 1 34 252.426 2

Activity (Go SEA)

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