UCSF

ZINC00613664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 Yes

Other Names:

MFCD05994029

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) 3.10 7.23 -47 1 5 -1 86 318.374 6
Hi High (pH 8-9.5) 3.10 7.27 -94.76 0 5 -2 88 317.366 6
Lo Low (pH 4.5-6) 3.10 5.25 -12.64 2 5 0 83 319.382 6

Activity (Go SEA)

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