UCSF

ZINC37813434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.31 -1.53 -47.53 6 7 1 120 285.368 6
Hi High (pH 8-9.5) -0.31 -1.88 -17.64 5 7 0 119 284.36 6

Activity (Go SEA)

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