UCSF

ZINC20442153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 1.02 4.34 -102.91 4 3 2 35 239.407 2
Hi High (pH 8-9.5) 1.02 1.92 -44.79 3 3 1 34 238.399 2

Activity (Go SEA)

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