UCSF

ZINC13739031

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.52 6.62 -11.14 2 5 0 101 408.303 2
Mid Mid (pH 6-8) 3.61 8.07 -108.75 3 5 2 101 410.319 2
Lo Low (pH 4.5-6) 3.52 6.44 -44.79 3 5 1 102 409.311 2

Activity (Go SEA)

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