UCSF

ZINC34683537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 5.05 10.97 -42.07 2 5 1 54 435.519 6
Hi High (pH 8-9.5) 5.05 8.67 -11.14 1 5 0 53 434.511 6

Activity (Go SEA)

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