UCSF

ZINC12630347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 25 No

Other Names:

MFCD02952345

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) 5.94 9 -8.79 1 4 0 55 352.459 4
Ref Reference (pH 7) 5.94 9.52 -8.51 1 4 0 55 352.459 4
Hi High (pH 8-9.5) 5.94 9.78 -42.31 0 4 -1 57 351.451 4
Hi High (pH 8-9.5) 5.94 10.28 -43.13 0 4 -1 57 351.451 4

Activity (Go SEA)

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