UCSF

ZINC19832009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 No

Other Names:

MFCD02053841

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) 4.82 5.4 -8.65 2 4 0 65 330.796 2
Ref Reference (pH 7) 4.82 5.82 -8.76 2 4 0 65 330.796 2
Hi High (pH 8-9.5) 4.82 6.12 -42.61 1 4 -1 68 329.788 2

Activity (Go SEA)

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