UCSF

ZINC09061160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 30 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) 0.97 6.78 -14.67 2 7 0 91 400.438 6
Ref Reference (pH 7) 0.97 6.79 -15.47 2 7 0 91 400.438 6
Hi High (pH 8-9.5) 1.16 5.49 -64.71 1 7 -1 98 399.43 6
Lo Low (pH 4.5-6) 0.97 7.19 -40.98 3 7 1 93 401.446 6
Lo Low (pH 4.5-6) 0.97 7.18 -40.67 3 7 1 93 401.446 6

Activity (Go SEA)

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