UCSF

ZINC26897788

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 26 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) 2.09 2.81 -8.89 2 4 0 47 362.42 6
Mid Mid (pH 6-8) 2.09 5.31 -40.12 3 4 1 48 363.428 6
Mid Mid (pH 6-8) 2.09 5.32 -40.23 3 4 1 48 363.428 6

Activity (Go SEA)

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