UCSF

ZINC43985887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 4.53 7.13 -39.52 2 3 1 29 297.507 8
Mid Mid (pH 6-8) 4.53 8.83 -109.76 3 3 2 30 298.515 8

Activity (Go SEA)

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