UCSF

ZINC14406040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2008 29 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) 2.86 7.07 -17.18 2 6 0 84 382.423 4
Lo Low (pH 4.5-6) 2.86 7.52 -52.91 3 6 1 85 383.431 4

Activity (Go SEA)

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