UCSF

ZINC43364608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) -0.04 2.26 -114.88 5 4 2 65 226.32 4
Mid Mid (pH 6-8) -0.04 2.23 -26.18 4 4 1 64 225.312 4
Mid Mid (pH 6-8) -0.04 -0.34 -44.35 4 4 1 64 225.312 4

Activity (Go SEA)

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