UCSF

ZINC44105782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 4.54 8.52 -36.5 2 3 1 35 280.432 11
Hi High (pH 8-9.5) 4.54 7.13 -3.67 1 3 0 30 279.424 11

Activity (Go SEA)

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