UCSF

ZINC27932816

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 16 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 7.23 -40.5 1 3 1 25 225.356 2
Mid Mid (pH 6-8) 1.92 4.97 -5.68 0 3 0 24 224.348 2

Activity (Go SEA)

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