UCSF

ZINC49721377

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 3.67 11.57 -14.75 0 4 0 42 358.441 4
Lo Low (pH 4.5-6) 3.67 12.03 -33.65 1 4 1 44 359.449 4

Activity (Go SEA)

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