UCSF

ZINC37003965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.91 6.62 -47.37 4 4 1 60 304.801 4
Mid Mid (pH 6-8) 0.91 6.3 -6.56 3 4 0 58 303.793 4

Activity (Go SEA)

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