UCSF

ZINC43425246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.74 4.35 -40.62 3 3 1 40 255.426 5
Mid Mid (pH 6-8) 2.74 6.14 -113.83 4 3 2 41 256.434 5

Activity (Go SEA)

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