UCSF

ZINC25920487

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 10 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) 1.92 5.18 -4.62 0 1 0 13 133.194 0
Mid Mid (pH 6-8) 1.92 5.57 -29.37 1 1 1 14 134.202 0

Activity (Go SEA)

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