UCSF

ZINC95496220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2013 15 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) -0.55 2.7 -46.1 2 6 -1 102 218.229 7
Mid Mid (pH 6-8) -0.55 3.08 -53.06 3 6 0 103 219.237 7

Activity (Go SEA)

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

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