UCSF

ZINC01132351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 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) 4.78 10.89 -34.33 2 6 0 84 445.544 5
Mid Mid (pH 6-8) 5.24 9.52 -62.69 1 6 -1 87 444.536 5

Activity (Go SEA)

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