UCSF

ZINC43389458

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.46 6.55 -49.6 2 3 1 43 246.689 5
Mid Mid (pH 6-8) 2.46 5.27 -7.36 1 3 0 38 245.681 5

Activity (Go SEA)

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