UCSF

ZINC20300054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 Yes

Other Names:

MFCD04116731

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 4.06 -46.74 0 5 -1 64 241.311 5
Lo Low (pH 4.5-6) 0.55 4.89 -43.02 2 5 1 62 243.327 5

Activity (Go SEA)

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