UCSF

ZINC22003066

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.06 6.81 -8.98 0 3 0 46 222.247 1
Lo Low (pH 4.5-6) 2.06 7.26 -40.39 1 3 1 47 223.255 1

Activity (Go SEA)

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