UCSF

ZINC42206131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 1.44 6.89 -39.12 1 4 1 34 316.219 5
Hi High (pH 8-9.5) 1.44 4.61 -10.29 0 4 0 33 315.211 5

Activity (Go SEA)

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