UCSF

ZINC43477490

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 1.51 4.62 -57.33 3 3 1 61 225.699 5
Hi High (pH 8-9.5) 1.51 4.22 -11.24 2 3 0 59 224.691 5

Activity (Go SEA)

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