UCSF

ZINC26470886

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 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) 1.74 5.49 -63.86 1 5 -1 86 271.296 4
Hi High (pH 8-9.5) 2.20 4.46 -124.02 0 5 -2 89 270.288 4

Activity (Go SEA)

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