UCSF

ZINC39354569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 33 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) 3.46 10.21 -83.14 2 6 2 59 467.013 3
Hi High (pH 8-9.5) 3.46 7.87 -30.9 1 6 1 58 466.005 3
Mid Mid (pH 6-8) 3.46 12.26 -168.05 3 6 3 60 468.021 3

Activity (Go SEA)

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