UCSF

ZINC27696858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.92 17.29 -18.78 0 4 0 38 457.577 5
Lo Low (pH 4.5-6) 6.92 17.69 -42.94 1 4 1 39 458.585 5

Activity (Go SEA)

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