UCSF

ZINC43511735

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.11 4.99 -29.46 2 2 1 25 277.207 5
Hi High (pH 8-9.5) 2.11 2.83 -4.35 1 2 0 23 276.199 5

Activity (Go SEA)

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