UCSF

ZINC43967465

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) 2.34 7.06 -110.93 3 3 2 30 242.407 7
Hi High (pH 8-9.5) 2.34 4.61 -0.98 1 3 0 24 240.391 7
Mid Mid (pH 6-8) 2.34 6.18 -31.83 2 3 1 26 241.399 7

Activity (Go SEA)

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