UCSF

ZINC04292103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.66 12.69 -23.46 1 5 0 68 392.48 4
Hi High (pH 8-9.5) 4.84 10.34 -50.39 0 5 -1 75 391.472 4

Activity (Go SEA)

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