UCSF

ZINC60708831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 19 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) 2.16 5.91 -47.34 3 3 1 50 277.775 5
Hi High (pH 8-9.5) 2.16 5.6 -6.21 2 3 0 48 276.767 5
Lo Low (pH 4.5-6) 2.16 6.37 -103.57 4 3 2 51 278.783 5

Activity (Go SEA)

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