UCSF

ZINC56894897

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 15 Yes

Other Names:

F2147-0815

MFCD21091950

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) 1.94 5.24 -36.7 2 2 1 20 203.309 2
Hi High (pH 8-9.5) 1.94 6.16 -32.22 2 2 1 16 203.309 2
Hi High (pH 8-9.5) 1.94 3.94 -2.32 1 2 0 15 202.301 2

Activity (Go SEA)

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