UCSF

ZINC31910538

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 0.96 4.88 -63.79 0 7 -1 79 320.369 9
Mid Mid (pH 6-8) 0.96 5.33 -33.86 1 7 0 80 321.377 9
Lo Low (pH 4.5-6) 0.96 7.43 -50.21 2 7 1 82 322.385 9

Activity (Go SEA)

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