UCSF

ZINC87493323

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 11 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) 2.34 5.5 -4.18 0 2 0 16 215.094 1
Lo Low (pH 4.5-6) 2.34 5.79 -25.07 1 2 1 17 216.102 1

Activity (Go SEA)

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

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