UCSF

ZINC62054827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 21 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) 2.21 8.18 -7.37 1 4 0 62 278.359 3
Lo Low (pH 4.5-6) 2.21 8.62 -32.28 2 4 1 63 279.367 3

Activity (Go SEA)

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