UCSF

ZINC19816533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 No

Other Names:

MFCD00742791

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) 4.86 8.04 -9.98 2 4 0 62 391.421 2
Lo Low (pH 4.5-6) 4.86 8.47 -58.05 3 4 1 64 392.429 2

Activity (Go SEA)

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