UCSF

ZINC14532252

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 30 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) 2.55 4.8 -12.71 3 9 0 115 418.494 8
Lo Low (pH 4.5-6) 2.55 5.07 -39.29 4 9 1 116 419.502 8

Activity (Go SEA)

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