UCSF

ZINC27016578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 31 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) 2.89 13 -52.44 1 7 1 64 458.633 5
Mid Mid (pH 6-8) 2.89 10.53 -14.97 0 7 0 63 457.625 5

Activity (Go SEA)

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