UCSF

ZINC20265620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 1.70 6.56 -77.21 2 10 0 135 466.494 8
Lo Low (pH 4.5-6) 1.70 5.79 -53.22 3 10 1 133 467.502 8

Activity (Go SEA)

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