UCSF

ZINC42561766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.76 4.49 -50.56 3 5 1 63 247.322 4
Hi High (pH 8-9.5) 0.76 3.33 -17.26 2 5 0 58 246.314 4
Mid Mid (pH 6-8) 0.76 4.93 -97.32 4 5 2 64 248.33 4
Mid Mid (pH 6-8) 0.76 3.77 -31.49 3 5 1 60 247.322 4

Activity (Go SEA)

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