UCSF

ZINC44241690

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 No

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) 1.54 5.52 -65.55 1 4 0 33 230.362 2
Mid Mid (pH 6-8) 1.54 3.3 -41 0 4 -1 32 229.354 2

Activity (Go SEA)

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