UCSF

ZINC44114274

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) 1.00 2.49 -35.57 2 5 1 46 285.408 3
Hi High (pH 8-9.5) 1.00 0.24 -5.17 1 5 0 45 284.4 3

Activity (Go SEA)

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