UCSF

ZINC43251967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.68 2.64 -58.43 3 4 1 51 288.824 3
Hi High (pH 8-9.5) 0.68 2.32 -8.88 2 4 0 50 287.816 3

Activity (Go SEA)

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