UCSF

ZINC42944372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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 2.64 -52.69 4 4 1 60 282.795 4
Mid Mid (pH 6-8) 1.81 4.11 -133 5 4 2 61 283.803 4
Mid Mid (pH 6-8) 1.81 3.78 -43.51 4 4 1 60 282.795 4

Activity (Go SEA)

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