UCSF

ZINC42463550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.58 2.81 -45.46 3 4 1 53 239.339 5
Hi High (pH 8-9.5) 0.58 2.53 -5.66 2 4 0 52 238.331 5
Mid Mid (pH 6-8) 0.58 4.32 -27.28 3 4 1 53 239.339 5

Activity (Go SEA)

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