UCSF

ZINC42450423

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.66 0.87 -43.17 3 4 1 64 200.306 8
Hi High (pH 8-9.5) -0.66 -0.56 -6.29 2 4 0 59 199.298 8
Mid Mid (pH 6-8) -0.66 3.24 -114.44 4 4 2 65 201.314 8

Activity (Go SEA)

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