UCSF

ZINC42461354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.17 0.31 -87.42 5 5 2 64 244.383 5
Mid Mid (pH 6-8) -0.17 0.34 -98.08 5 5 2 64 244.383 5
Mid Mid (pH 6-8) -0.17 -1.83 -49.85 4 5 1 63 243.375 5

Activity (Go SEA)

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