UCSF

ZINC09164110

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 31 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) -2.09 5.57 -55.16 3 12 -1 176 466.477 6
Lo Low (pH 4.5-6) -2.09 5.66 -60.02 4 12 0 178 467.485 6

Activity (Go SEA)

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