UCSF

ZINC59855849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 24 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) 4.67 9.96 -66.12 2 4 0 47 323.416 5
Mid Mid (pH 6-8) 4.67 9.89 -8.35 1 4 0 45 322.408 5

Activity (Go SEA)

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