UCSF

ZINC17096031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 30 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) 3.82 9.13 -66.24 2 6 -1 98 427.546 5
Lo Low (pH 4.5-6) 3.82 7.99 -16.97 3 6 0 95 428.554 5

Activity (Go SEA)

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