UCSF

ZINC36770250

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) 0.90 3.79 -45.7 0 4 -1 53 200.258 4
Mid Mid (pH 6-8) 0.90 5.53 -32.83 1 4 0 54 201.266 4

Activity (Go SEA)

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