UCSF

ZINC14532414

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 4.42 10.3 -15.1 3 8 0 105 464.566 10
Lo Low (pH 4.5-6) 4.42 10.59 -38.63 4 8 1 107 465.574 10

Activity (Go SEA)

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