UCSF

ZINC19965848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 2.95 5.76 -54.87 0 4 -1 56 253.709 2
Lo Low (pH 4.5-6) 2.95 6.07 -31.73 1 4 0 58 254.717 2

Activity (Go SEA)

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