UCSF

ZINC20000713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 Yes

Other Names:

MFCD12735681

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) 5.30 6.69 -6.78 2 2 0 32 275.779 4
Hi High (pH 8-9.5) 5.30 7.48 -37.07 1 2 -1 35 274.771 4

Activity (Go SEA)

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