UCSF

ZINC08969650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 4.87 13.33 -63.97 0 4 -1 60 394.45 5
Mid Mid (pH 6-8) 4.87 12.55 -12.37 1 4 0 58 395.458 5
Mid Mid (pH 6-8) 4.29 13 -9.86 0 4 0 54 395.458 5

Activity (Go SEA)

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