UCSF

ZINC09313080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 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) 3.86 9.02 -58.17 0 7 -1 82 495.571 9
Mid Mid (pH 6-8) 3.86 11.7 -48.93 2 7 1 81 497.587 9
Mid Mid (pH 6-8) 3.28 0.85 -53.32 1 7 1 77 497.587 9
Mid Mid (pH 6-8) 3.86 11.35 -71.34 1 7 0 83 496.579 9

Activity (Go SEA)

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