UCSF

ZINC42442505

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 0.05 -97.83 4 5 2 60 222.329 10
Hi High (pH 8-9.5) -0.55 -3 -3.71 2 5 0 54 220.313 10
Mid Mid (pH 6-8) -0.55 0.59 -45.19 3 5 1 63 221.321 10
Mid Mid (pH 6-8) -0.55 -1.57 -35.6 3 5 1 59 221.321 10

Activity (Go SEA)

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