UCSF

ZINC09087786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 3.17 9.17 -54.34 0 6 -1 80 398.442 3
Ref Reference (pH 7) 3.17 9.08 -55.09 0 6 -1 80 398.442 3
Lo Low (pH 4.5-6) 2.71 11.74 -11.41 1 6 0 77 399.45 3

Activity (Go SEA)

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