UCSF

ZINC17207595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 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) 1.98 6.62 -35.5 2 8 0 110 382.515 10
Hi High (pH 8-9.5) 2.16 5.55 -61.59 1 8 -1 116 381.507 10

Activity (Go SEA)

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