UCSF

ZINC36589966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 30 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) 2.88 8.01 -70.45 1 6 1 78 430.477 2
Mid Mid (pH 6-8) 2.88 5.23 -18.79 0 6 0 77 429.469 2

Activity (Go SEA)

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