UCSF

ZINC06093534

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 15 No

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) -0.53 -2.57 -9.96 3 7 0 101 208.177 2
Mid Mid (pH 6-8) -0.90 -4.97 -43.73 2 7 -1 107 207.169 2

Activity (Go SEA)

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