UCSF

ZINC41684713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.47 2.66 -43.75 2 6 1 70 261.371 7
Hi High (pH 8-9.5) 0.47 0.21 -10.09 1 6 0 69 260.363 7

Activity (Go SEA)

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