UCSF

ZINC16740482

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 27 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) 3.69 6.88 -50.05 3 6 1 80 388.513 6
Hi High (pH 8-9.5) 3.69 6.95 -73.18 2 6 0 82 387.505 6

Activity (Go SEA)

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