UCSF

ZINC50245509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) -0.26 0.76 -50.32 3 4 1 49 195.29 3
Mid Mid (pH 6-8) -0.26 2.78 -40.79 3 4 1 48 195.29 3

Activity (Go SEA)

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