UCSF

ZINC44265690

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 2.86 5.31 -43.68 2 4 1 56 266.752 5
Hi High (pH 8-9.5) 2.86 4.1 -6.97 1 4 0 51 265.744 5

Activity (Go SEA)

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