UCSF

ZINC43424749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.67 6.9 -25.61 3 4 1 53 284.383 1
Mid Mid (pH 6-8) 2.67 6.59 -7.46 2 4 0 51 283.375 1

Activity (Go SEA)

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