UCSF

ZINC04472852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 17 Yes

Other Names:

MFCD01308691

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) 4.22 9.12 -36.47 1 2 1 14 275.199 4
Hi High (pH 8-9.5) 4.22 6.9 -3.98 0 2 0 12 274.191 4

Activity (Go SEA)

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