UCSF

ZINC34876167

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 3.85 11.69 -58.49 2 9 1 100 473.557 9
Hi High (pH 8-9.5) 3.85 10.32 -16.45 1 9 0 95 472.549 9
Lo Low (pH 4.5-6) 3.85 13.9 -152.93 3 9 2 101 474.565 9

Activity (Go SEA)

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