UCSF

ZINC34086764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 33 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) 3.87 11.98 -41.74 1 9 1 96 451.503 7
Lo Low (pH 4.5-6) 3.87 12.63 -91.22 2 9 2 97 452.511 7

Activity (Go SEA)

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