UCSF

ZINC95921980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2014 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.43 7.73 -25.45 2 3 1 31 188.254 1
Hi High (pH 8-9.5) 2.43 7.26 -10.6 1 3 0 30 187.246 1

Activity (Go SEA)

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

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