UCSF

ZINC35834508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 1.08 6.76 -24.05 2 9 0 109 460.538 8
Lo Low (pH 4.5-6) 1.08 7.16 -54.07 3 9 1 110 461.546 8

Activity (Go SEA)

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