UCSF

ZINC37238940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.56 2.23 -94.65 0 7 -2 114 303.346 4
Lo Low (pH 4.5-6) 1.56 2.12 -54.3 1 7 -1 112 304.354 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.