UCSF

ZINC95496383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2013 24 Yes

Other Names:

MFCD01321025

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) 0.88 6.55 -131.96 6 5 2 91 328.412 8
Hi High (pH 8-9.5) 0.88 5.99 -9.99 4 5 0 88 326.396 8
Mid Mid (pH 6-8) 0.88 6.15 -47.42 5 5 1 89 327.404 8

Activity (Go SEA)

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

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