UCSF

ZINC41538271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 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) 0.18 5.63 -12.98 0 4 0 46 241.294 4
Lo Low (pH 4.5-6) 0.18 6.08 -40.78 1 4 1 47 242.302 4

Activity (Go SEA)

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