UCSF

ZINC11666763

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 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) 4.97 -1.38 -13.19 3 6 0 94 409.511 5
Lo Low (pH 4.5-6) 4.97 -1.33 -30.94 4 6 1 96 410.519 5

Activity (Go SEA)

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