UCSF

ZINC42207012

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 2.29 8.77 -37.83 1 3 1 31 214.329 9
Hi High (pH 8-9.5) 2.29 6.69 -3.9 0 3 0 30 213.321 9

Activity (Go SEA)

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