UCSF

ZINC42463254

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) -0.01 5.34 -52.36 1 5 0 65 214.265 2
Mid Mid (pH 6-8) -0.01 3.26 -43.07 0 5 -1 64 213.257 2

Activity (Go SEA)

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