UCSF

ZINC41573767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.98 6.98 -42.28 1 4 1 42 311.471 5
Hi High (pH 8-9.5) 2.98 4.89 -8.35 0 4 0 41 310.463 5

Activity (Go SEA)

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