UCSF

ZINC19688113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 0.04 2.47 -96.63 5 5 2 64 278.4 6
Hi High (pH 8-9.5) 0.04 0.23 -48.82 4 5 1 63 277.392 6
Lo Low (pH 4.5-6) 0.04 2.58 -118.25 5 5 2 64 278.4 6

Activity (Go SEA)

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