UCSF

ZINC00134857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD02345141

Download: MOL2 SDF SMILES Flexibase

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) 4.44 -1.97 -8.49 1 3 0 46 289.4 4
Hi High (pH 8-9.5) 4.44 -1.44 -43.45 0 3 -1 48 288.392 4

Activity (Go SEA)

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