UCSF

ZINC16570808

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.72 11.14 -20.49 0 8 0 93 467.529 9
Lo Low (pH 4.5-6) 2.72 11.43 -48.51 1 8 1 95 468.537 9

Activity (Go SEA)

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