UCSF

ZINC47505544

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2010 23 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) 3.27 10.92 -37.03 2 4 1 37 312.437 6
Hi High (pH 8-9.5) 3.27 8.44 -10.99 1 4 0 36 311.429 6

Activity (Go SEA)

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