UCSF

ZINC42590085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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) 0.14 3.25 -41.04 2 5 1 50 263.365 5
Hi High (pH 8-9.5) 0.14 0.98 -9.43 1 5 0 48 262.357 5

Activity (Go SEA)

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