UCSF

ZINC37877168

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) 0.00 -0.23 -46.1 5 5 1 80 238.311 6
Hi High (pH 8-9.5) 0.00 -2.74 -10.46 4 5 0 79 237.303 6

Activity (Go SEA)

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