UCSF

ZINC27055171

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 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) 3.97 10.75 -46.68 1 4 1 32 354.47 5
Hi High (pH 8-9.5) 3.97 8.42 -7.14 0 4 0 31 353.462 5

Activity (Go SEA)

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