UCSF

ZINC28010320

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 27 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) 3.29 6.77 -13.73 1 6 0 66 369.465 7
Lo Low (pH 4.5-6) 3.29 9.04 -48.91 2 6 1 67 370.473 7

Activity (Go SEA)

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