UCSF

ZINC19537403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 No

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) 3.60 10.61 -42.05 1 5 1 53 346.838 5
Mid Mid (pH 6-8) 3.60 10.57 -40.71 1 5 1 53 346.838 5
Mid Mid (pH 6-8) 3.60 8.24 -5.47 0 5 0 52 345.83 5

Activity (Go SEA)

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