UCSF

ZINC42457168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.13 5.09 -34.01 4 4 1 68 221.328 5
Mid Mid (pH 6-8) 1.13 6.13 -7.27 3 4 0 66 220.32 5

Activity (Go SEA)

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