UCSF

ZINC06919603

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 21 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) 3.64 -2.16 -15.27 1 5 0 72 325.773 5
Hi High (pH 8-9.5) 3.64 -1.71 -51.9 0 5 -1 74 324.765 5

Activity (Go SEA)

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