UCSF

ZINC34683153

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.33 12.02 -44.43 1 6 1 52 465.595 6
Hi High (pH 8-9.5) 4.33 9.75 -14.01 0 6 0 51 464.587 6

Activity (Go SEA)

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