UCSF

ZINC43914307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 4.16 6.68 -39.11 2 3 1 29 297.507 6
Mid Mid (pH 6-8) 4.16 8.67 -113.16 3 3 2 30 298.515 6

Activity (Go SEA)

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