UCSF

ZINC43992590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 Yes

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) 2.24 9.25 -43.36 2 3 1 34 230.335 6
Hi High (pH 8-9.5) 2.24 8.09 -6.26 1 3 0 30 229.327 6
Mid Mid (pH 6-8) 2.24 9.76 -105.62 3 3 2 36 231.343 6

Activity (Go SEA)

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