UCSF

ZINC49828917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 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) 1.75 4.17 -40.3 3 3 1 46 238.351 6
Hi High (pH 8-9.5) 1.75 2.76 -5.39 2 3 0 41 237.343 6

Activity (Go SEA)

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