UCSF

ZINC44243533

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 2.08 3.68 -43.45 2 5 1 63 351.29 6
Hi High (pH 8-9.5) 2.08 3.39 -44.65 1 5 0 66 350.282 6

Activity (Go SEA)

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