UCSF

ZINC43899456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 1.81 2.79 -35.77 2 4 1 38 257.398 5
Lo Low (pH 4.5-6) 1.81 4.87 -107.35 3 4 2 40 258.406 5

Activity (Go SEA)

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