UCSF

ZINC21965921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 24 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) 2.88 8.31 -42.05 2 5 1 50 390.305 5
Hi High (pH 8-9.5) 2.88 5.86 -15.31 1 5 0 48 389.297 5

Activity (Go SEA)

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