UCSF

ZINC00064879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 16 Yes

Other Names:

MFCD02323229

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) 1.98 6.41 -44.85 2 2 1 29 211.288 1
Lo Low (pH 4.5-6) 1.98 6.69 -102.61 3 2 2 31 212.296 1

Activity (Go SEA)

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