UCSF

ZINC02380323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 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) 0.35 5.09 -116.57 3 4 2 43 237.347 6
Lo Low (pH 4.5-6) 0.35 5.37 -185.31 4 4 3 44 238.355 6

Activity (Go SEA)

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