UCSF

ZINC14748487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 32 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) 3.94 10.36 -17.7 2 8 0 94 436.512 8
Lo Low (pH 4.5-6) 3.94 10.63 -41.59 3 8 1 96 437.52 8

Activity (Go SEA)

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