UCSF

ZINC36321926

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.48 6.47 -8.61 1 3 0 38 321.149 2
Lo Low (pH 4.5-6) 3.48 6.99 -29.84 2 3 1 39 322.157 2

Activity (Go SEA)

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