UCSF

ZINC00207220

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD00725811

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) 3.43 3.19 -9.74 2 4 0 66 291.372 3
Hi High (pH 8-9.5) 3.43 3.94 -47.15 1 4 -1 69 290.364 3

Activity (Go SEA)

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