UCSF

ZINC35447623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 3.30 7.6 -18.26 2 6 0 84 402.479 5
Lo Low (pH 4.5-6) 3.30 8.01 -46.18 3 6 1 85 403.487 5

Activity (Go SEA)

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