UCSF

ZINC39849424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 3.82 13.3 -75.33 1 7 0 87 466.578 13
Lo Low (pH 4.5-6) 3.82 12.39 -47.84 2 7 1 84 467.586 13

Activity (Go SEA)

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