UCSF

ZINC41708520

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) -0.58 4.92 -97.65 5 5 2 64 264.373 2
Mid Mid (pH 6-8) -0.58 2.55 -52.2 4 5 1 63 263.365 2

Activity (Go SEA)

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