UCSF

ZINC40882525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 21 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) 2.12 5.66 -59.05 0 8 -1 120 327.367 6
Lo Low (pH 4.5-6) 2.12 5.48 -14.95 1 8 0 118 328.375 6

Activity (Go SEA)

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