UCSF

ZINC35280083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 1.40 8.33 -60.4 0 4 -1 60 238.307 5
Lo Low (pH 4.5-6) 1.40 5.93 -13.22 1 4 0 58 239.315 5

Activity (Go SEA)

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