UCSF

ZINC36273247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 2.20 5.89 -41.18 4 6 1 77 341.435 7
Hi High (pH 8-9.5) 2.20 4.57 -14.35 3 6 0 76 340.427 7
Mid Mid (pH 6-8) 2.20 6.43 -81.23 5 6 2 78 342.443 7

Activity (Go SEA)

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