UCSF

ZINC41586549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.64 10.46 -42.14 2 7 1 86 425.505 8
Hi High (pH 8-9.5) 4.64 11.03 -25.7 1 7 0 89 424.497 8
Hi High (pH 8-9.5) 4.64 8.79 -47.37 0 7 -1 88 423.489 8
Mid Mid (pH 6-8) 4.64 8.19 -15.93 1 7 0 85 424.497 8

Activity (Go SEA)

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