UCSF

ZINC43971583

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) 2.14 7.65 -109.5 3 3 2 30 242.407 5
Hi High (pH 8-9.5) 2.14 5.41 -1.46 1 3 0 24 240.391 5
Mid Mid (pH 6-8) 2.14 6.02 -31.71 2 3 1 29 241.399 5
Mid Mid (pH 6-8) 2.14 7.64 -28.65 2 3 1 26 241.399 5

Activity (Go SEA)

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