UCSF

ZINC42914050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.29 4 -42.68 3 3 1 40 263.405 4
Lo Low (pH 4.5-6) 2.29 5.86 -109.83 4 3 2 41 264.413 4

Activity (Go SEA)

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