UCSF

ZINC41707660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 3.01 10.39 -55.01 1 3 1 26 275.416 2
Hi High (pH 8-9.5) 3.01 8.09 -9.28 0 3 0 25 274.408 2

Activity (Go SEA)

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