UCSF

ZINC19853927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 3.69 5.7 -77.78 5 3 2 45 297.531 2
Mid Mid (pH 6-8) 3.69 5.85 -105.13 5 3 2 45 297.531 2
Mid Mid (pH 6-8) 3.69 4.82 -40.43 4 3 1 41 296.523 2

Activity (Go SEA)

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