UCSF

ZINC95890319

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 15 Yes

CAS Number: 74367-51-4

Other Names:

MFCD00065257

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) 2.34 5.12 -4.51 0 2 0 16 202.301 3
Mid Mid (pH 6-8) 2.34 7.64 -39.14 1 2 1 17 203.309 3

Activity (Go SEA)

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

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