UCSF

ZINC19832298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 No

Other Names:

MFCD01064956

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) 6.08 9.34 -14.19 2 5 0 75 416.502 3
Ref Reference (pH 7) 6.08 8.04 -13.71 2 5 0 75 416.502 3
Hi High (pH 8-9.5) 6.08 10.37 -43.96 1 5 -1 78 415.494 3

Activity (Go SEA)

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