UCSF

ZINC20995358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 0.98 2.56 -13.32 3 7 0 98 314.345 4
Hi High (pH 8-9.5) 1.44 -0.21 -47.79 2 7 -1 101 313.337 4

Activity (Go SEA)

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