UCSF

ZINC14744448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 34 Yes

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) 4.89 11.69 -15.69 2 8 0 94 464.566 10
Lo Low (pH 4.5-6) 4.89 11.98 -39.72 3 8 1 96 465.574 10

Activity (Go SEA)

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