UCSF

ZINC95079920

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 13 No

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) 1.25 2.08 -16.67 1 3 0 45 174.203 2
Hi High (pH 8-9.5) 1.25 2.61 -58.17 0 3 -1 48 173.195 2

Activity (Go SEA)

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

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