UCSF

ZINC38601500

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

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) -2.79 -8.12 -17.44 8 11 0 191 449.388 4
Hi High (pH 8-9.5) -2.79 -7.36 -30.85 7 11 0 194 448.38 4

Activity (Go SEA)

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