UCSF

ZINC37801851

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Other Names:

MFCD13244620

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) 1.38 4.92 -40.85 3 3 1 48 271.743 4
Hi High (pH 8-9.5) 1.38 4.58 -9.27 2 3 0 46 270.735 4

Activity (Go SEA)

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