UCSF

ZINC20084844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 Yes

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) -0.41 4.01 -51.49 2 5 1 61 210.257 4
Hi High (pH 8-9.5) -0.41 2.59 -15.18 1 5 0 56 209.249 4

Activity (Go SEA)

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