UCSF

ZINC39123517

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 No

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) 1.16 4.59 -34.96 1 5 0 83 154.125 1
Mid Mid (pH 6-8) 1.16 3.17 -13.49 1 5 0 79 154.125 1
Mid Mid (pH 6-8) 1.16 4.17 -47.56 0 5 -1 82 153.117 1
Lo Low (pH 4.5-6) 1.16 3.59 -39.13 2 5 1 80 155.133 1

Activity (Go SEA)

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