UCSF

ZINC45663809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.05 5.53 -107.01 4 4 2 48 283.46 9
Hi High (pH 8-9.5) 2.05 4.02 -38.94 3 4 1 47 282.452 9
Mid Mid (pH 6-8) 2.05 6.48 -92.63 4 4 2 48 283.46 9
Mid Mid (pH 6-8) 2.05 5.25 -30.92 3 4 1 47 282.452 9

Activity (Go SEA)

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