UCSF

ZINC16805738

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 31 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) 3.99 9.65 -39.31 0 6 -1 79 440.903 10
Mid Mid (pH 6-8) 4.43 8.67 -26.12 1 6 0 76 441.911 9
Mid Mid (pH 6-8) 3.40 9.66 -18.35 0 6 0 73 441.911 10

Activity (Go SEA)

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