UCSF

ZINC36826691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 3.60 6.09 -50.94 3 2 1 31 299.891 3
Mid Mid (pH 6-8) 3.60 7.89 -29.24 3 2 1 30 299.891 3
Mid Mid (pH 6-8) 3.60 8 -125.74 4 2 2 32 300.899 3

Activity (Go SEA)

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