UCSF

ZINC14744273

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) 3.07 10.43 -14.68 2 8 0 98 435.528 10
Lo Low (pH 4.5-6) 3.07 10.69 -40.06 3 8 1 99 436.536 10
Lo Low (pH 4.5-6) 3.07 10.7 -41.88 3 8 1 99 436.536 10
Lo Low (pH 4.5-6) 3.07 10.97 -93.38 4 8 2 101 437.544 10

Activity (Go SEA)

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