UCSF

ZINC37875006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 1.57 3.34 -38.1 3 4 1 46 239.339 7
Hi High (pH 8-9.5) 1.57 0.93 -5.22 2 4 0 45 238.331 7

Activity (Go SEA)

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