UCSF

ZINC06093224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 13 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) 1.38 4.63 -56.19 3 4 1 73 179.199 2
Mid Mid (pH 6-8) 1.38 4.31 -6.23 2 4 0 72 178.191 2

Activity (Go SEA)

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