UCSF

ZINC21218925

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.23 12.21 -45.22 2 11 0 152 458.434 6
Mid Mid (pH 6-8) 3.69 11.89 -62.35 1 11 -1 155 457.426 6

Activity (Go SEA)

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