UCSF

ZINC60462721

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 24 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 6.61 -41.95 2 5 1 50 345.492 5
Hi High (pH 8-9.5) 2.08 4.32 -15.78 1 5 0 48 344.484 5

Activity (Go SEA)

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