UCSF

ZINC42945084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 1.97 4.92 -51.14 3 3 1 44 290.818 5
Mid Mid (pH 6-8) 1.97 7.53 -130.78 4 3 2 45 291.826 5

Activity (Go SEA)

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