UCSF

ZINC54181859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 12 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) 1.21 3.76 -49.41 2 3 1 50 171.264 6
Hi High (pH 8-9.5) 1.21 2.57 -6.05 1 3 0 45 170.256 6

Activity (Go SEA)

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