UCSF

ZINC08981100

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 3.85 -3 -17.38 2 8 0 110 434.514 11
Hi High (pH 8-9.5) 3.85 -2.43 -53.74 1 8 -1 112 433.506 11

Activity (Go SEA)

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

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