UCSF

ZINC43478425

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) 3.36 6.23 -29.53 3 4 1 50 304.801 4
Hi High (pH 8-9.5) 3.36 7 -51.71 2 4 0 52 303.793 4

Activity (Go SEA)

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