UCSF

ZINC37483391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) 2.28 5.91 -31.41 2 2 1 16 225.743 3
Lo Low (pH 4.5-6) 2.28 7.2 -105.44 3 2 2 21 226.751 3

Activity (Go SEA)

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