UCSF

ZINC53157483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 1.65 4.77 -114.58 4 3 2 41 262.756 6
Hi High (pH 8-9.5) 1.65 3.4 -38.76 3 3 1 37 261.748 6
Mid Mid (pH 6-8) 1.65 2.24 -50.83 3 3 1 40 261.748 6

Activity (Go SEA)

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