UCSF

ZINC33293646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 24 No

Other Names:

MFCD02222669

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) 2.57 9.13 -44.52 1 5 1 51 331.436 5
Hi High (pH 8-9.5) 2.57 6.92 -10.57 0 5 0 50 330.428 5

Activity (Go SEA)

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