UCSF

ZINC34671529

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 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) 4.52 13.48 -14.01 1 5 0 54 477.608 8
Mid Mid (pH 6-8) 4.52 15.3 -44.56 2 5 1 56 478.616 8
Lo Low (pH 4.5-6) 4.52 15.76 -86.51 3 5 2 57 479.624 8

Activity (Go SEA)

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