UCSF

ZINC09057893

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 Yes

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) 5.07 11.42 -13.99 2 6 0 80 430.533 8
Mid Mid (pH 6-8) 5.07 11.23 -48.69 1 6 -1 78 429.525 8

Activity (Go SEA)

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