UCSF

ZINC37050534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

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) 2.16 8.15 -52.96 3 4 1 55 282.367 6
Lo Low (pH 4.5-6) 2.16 8.63 -87.36 4 4 2 56 283.375 6

Activity (Go SEA)

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