UCSF

ZINC36765323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 1.69 5.95 -104.62 4 2 2 32 198.354 6
Hi High (pH 8-9.5) 1.69 5.57 -31.32 3 2 1 30 197.346 6
Hi High (pH 8-9.5) 1.69 3.84 -43.85 3 2 1 31 197.346 6

Activity (Go SEA)

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