UCSF

ZINC35728218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.29 2.46 -50.22 4 4 1 63 240.714 1
Mid Mid (pH 6-8) 0.29 1.17 -7.48 3 4 0 58 239.706 1

Activity (Go SEA)

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