UCSF

ZINC42821751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.25 6.04 -31.31 2 3 1 26 241.399 4
Hi High (pH 8-9.5) 2.25 5.14 -35.37 2 3 1 29 241.399 4
Mid Mid (pH 6-8) 2.25 7.08 -98 3 3 2 30 242.407 4

Activity (Go SEA)

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