UCSF

ZINC45777894

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 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) 2.08 8.35 -34.83 1 5 1 37 346.495 7
Hi High (pH 8-9.5) 2.08 6.12 -9.39 0 5 0 36 345.487 7

Activity (Go SEA)

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