UCSF

ZINC16570825

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 31 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) 4.30 10.08 -18.03 1 6 0 69 432.911 7
Lo Low (pH 4.5-6) 4.30 10.35 -46.03 2 6 1 70 433.919 7

Activity (Go SEA)

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