UCSF

ZINC43709098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -1.44 2.57 -54.98 3 6 1 73 265.337 2
Hi High (pH 8-9.5) -1.44 1.21 -15.64 2 6 0 68 264.329 2

Activity (Go SEA)

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