UCSF

ZINC42267636

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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 3.41 -12.24 0 5 0 50 216.281 7
Mid Mid (pH 6-8) -0.01 5.3 -39.7 1 5 1 51 217.289 7

Activity (Go SEA)

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