UCSF

ZINC44112192

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) 2.58 5.52 -39.13 2 4 1 44 280.388 8
Hi High (pH 8-9.5) 2.58 4.13 -5.48 1 4 0 40 279.38 8

Activity (Go SEA)

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