UCSF

ZINC34941905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.28 8.91 -68.52 2 8 0 104 482.577 12
Lo Low (pH 4.5-6) 3.28 8.16 -49.66 3 8 1 101 483.585 12

Activity (Go SEA)

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