UCSF

ZINC49721379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 28 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) 2.84 10.65 -18.33 0 5 0 52 374.44 5
Lo Low (pH 4.5-6) 2.84 11.11 -35.46 1 5 1 53 375.448 5

Activity (Go SEA)

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