UCSF

ZINC16570678

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) 4.70 15.27 -18.01 0 6 0 75 463.585 7
Lo Low (pH 4.5-6) 4.70 15.55 -44.44 1 6 1 76 464.593 7

Activity (Go SEA)

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