UCSF

ZINC42442507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.55 0.3 -97.42 4 5 2 60 222.329 10
Hi High (pH 8-9.5) -0.55 -3.71 -4.63 2 5 0 54 220.313 10
Mid Mid (pH 6-8) -0.55 0.82 -38.77 3 5 1 63 221.321 10
Mid Mid (pH 6-8) -0.55 -2.2 -35.76 3 5 1 59 221.321 10

Activity (Go SEA)

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