UCSF

ZINC60855790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2011 18 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) -0.13 4.06 -12.26 0 5 0 57 251.33 6
Mid Mid (pH 6-8) -0.13 6.33 -58.08 1 5 1 58 252.338 6

Activity (Go SEA)

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