UCSF

ZINC03907501

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 23 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) 3.17 -4.18 -11.89 2 5 0 75 330.409 3
Hi High (pH 8-9.5) 3.17 -3.61 -40.45 1 5 -1 77 329.401 3

Activity (Go SEA)

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