UCSF

ZINC04660799

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 22 Yes

Other Names:

MFCD05157154

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) 2.67 4.94 -18.44 2 5 0 75 318.398 4
Hi High (pH 8-9.5) 2.67 5.04 -63.1 1 5 -1 77 317.39 4

Activity (Go SEA)

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