UCSF

ZINC23127919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 22 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) 2.15 6.71 -44.97 2 4 1 43 313.368 6
Hi High (pH 8-9.5) 2.15 4.37 -12.47 1 4 0 42 312.36 6

Activity (Go SEA)

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