UCSF

ZINC44861946

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) 0.27 0.42 -48.46 5 6 1 92 231.32 7
Hi High (pH 8-9.5) 0.46 -1.63 -37.41 4 6 0 98 230.312 7

Activity (Go SEA)

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