UCSF

ZINC43478486

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 Yes

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) 3.45 6.64 -41.73 3 3 1 46 306.813 6
Hi High (pH 8-9.5) 3.45 7.41 -53.24 2 3 0 49 305.805 6
Hi High (pH 8-9.5) 3.45 6.4 -42.76 1 3 -1 44 304.797 6

Activity (Go SEA)

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