UCSF

ZINC21958312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 0.19 1.03 -50.47 2 6 0 87 221.216 2
Mid Mid (pH 6-8) 0.19 0.78 -49.61 1 6 -1 85 220.208 2

Activity (Go SEA)

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