UCSF

ZINC14830680

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 28 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) 2.49 5.58 -17.1 3 6 0 98 368.396 4
Lo Low (pH 4.5-6) 2.49 5.86 -52.49 4 6 1 99 369.404 4

Activity (Go SEA)

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