UCSF

ZINC08845211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 37 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) 6.07 10.76 -15.43 2 7 0 88 518.013 8
Ref Reference (pH 7) 6.07 10.59 -12.92 2 7 0 88 518.013 8
Hi High (pH 8-9.5) 6.05 11.2 -53.3 0 7 -1 87 517.005 8
Hi High (pH 8-9.5) 6.05 10.99 -48.89 0 7 -1 87 517.005 8
Hi High (pH 8-9.5) 6.07 11.52 -40.95 1 7 -1 91 517.005 8
Mid Mid (pH 6-8) 6.07 11.36 -48.6 1 7 -1 91 517.005 8

Activity (Go SEA)

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