UCSF

ZINC01820790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 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) 4.52 9.54 -12.83 2 6 0 116 402.498 6
Lo Low (pH 4.5-6) 4.52 9.38 -53.58 3 6 1 117 403.506 6

Activity (Go SEA)

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