UCSF

ZINC27527877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 25 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) 4.51 8.59 -11.49 0 4 0 38 329.403 3
Mid Mid (pH 6-8) 4.51 11 -46.14 1 4 1 39 330.411 3
Mid Mid (pH 6-8) 4.51 11.28 -45.13 1 4 1 39 330.411 3

Activity (Go SEA)

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