UCSF

ZINC00676989

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 21 Yes

Other Names:

MFCD00584929

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) 4.72 -5.71 -8.31 1 4 0 59 403.71 3
Hi High (pH 8-9.5) 4.72 -5.14 -36 0 4 -1 61 402.702 3

Activity (Go SEA)

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