UCSF

ZINC19885017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.92 3.04 -41.5 3 3 1 46 206.265 3
Hi High (pH 8-9.5) 1.92 3.83 -63.18 2 3 0 49 205.257 3

Activity (Go SEA)

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