UCSF

ZINC41671671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 14 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) 0.07 3.9 -8.05 0 4 0 47 199.25 4
Mid Mid (pH 6-8) 0.07 5.59 -47.22 1 4 1 48 200.258 4

Activity (Go SEA)

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