UCSF

ZINC42949768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.80 4.44 -47.32 4 3 1 57 292.786 5
Hi High (pH 8-9.5) 2.80 4.07 -5.85 3 3 0 55 291.778 5

Activity (Go SEA)

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