UCSF

ZINC36782526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.39 3.26 -49.01 3 4 1 69 196.274 6
Mid Mid (pH 6-8) 0.39 2.22 -13.44 2 4 0 65 195.266 6

Activity (Go SEA)

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