UCSF

ZINC42207162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 3.07 7.87 -42.56 2 3 1 43 236.335 6
Hi High (pH 8-9.5) 3.07 6.88 -5.05 1 3 0 38 235.327 6

Activity (Go SEA)

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