UCSF

ZINC35768676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 40 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) 6.57 18.45 -13.2 0 4 0 28 531.675 7
Lo Low (pH 4.5-6) 6.57 20.24 -49.07 1 4 1 30 532.683 7

Activity (Go SEA)

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