UCSF

ZINC43425973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.86 6.03 -51.18 1 4 0 54 213.277 4
Mid Mid (pH 6-8) 0.86 3.99 -44.27 0 4 -1 53 212.269 4

Activity (Go SEA)

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