UCSF

ZINC12748457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 22 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) 4.62 8.33 -11.3 1 3 0 42 379.616 2
Lo Low (pH 4.5-6) 4.62 8.59 -37.23 2 3 1 43 380.624 2

Activity (Go SEA)

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