UCSF

ZINC09094877

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 29 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) 2.69 -6.42 -16.94 2 6 0 88 429.929 8
Lo Low (pH 4.5-6) 2.69 -6.31 -52.58 3 6 1 89 430.937 8

Activity (Go SEA)

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