UCSF

ZINC61818698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 19 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) 2.77 7 -88.24 4 3 2 41 264.413 5
Hi High (pH 8-9.5) 2.77 4.76 -45.39 3 3 1 40 263.405 5

Activity (Go SEA)

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