UCSF

ZINC42681341

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) -0.08 5.46 -109.21 3 4 2 41 215.341 4
Mid Mid (pH 6-8) -0.08 3.65 -45.32 2 4 1 40 214.333 4

Activity (Go SEA)

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