UCSF

ZINC20873432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 21 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) 1.82 3.37 -37.4 4 5 1 75 315.821 8
Hi High (pH 8-9.5) 1.82 1.87 -14.41 3 5 0 71 314.813 8

Activity (Go SEA)

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