UCSF

ZINC02790200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 3.40 6.46 -10.94 2 7 0 95 450.371 5
Lo Low (pH 4.5-6) 3.40 6.91 -58.88 3 7 1 96 451.379 5

Activity (Go SEA)

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