UCSF

ZINC07057123

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 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) 4.00 -3.26 -9.3 1 3 0 46 344.205 3
Hi High (pH 8-9.5) 4.00 -2.68 -44.61 0 3 -1 48 343.197 3

Activity (Go SEA)

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