UCSF

ZINC09007479

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 26 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) 2.90 8.29 -43.59 0 6 -1 83 395.218 6
Mid Mid (pH 6-8) 2.90 7.42 -13.84 1 6 0 80 396.226 6
Mid Mid (pH 6-8) 2.32 7.95 -15.77 0 6 0 77 396.226 6

Activity (Go SEA)

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