UCSF

ZINC00084913

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 4.67 7.33 -11.99 2 4 0 71 330.339 2
Hi High (pH 8-9.5) 4.67 8.32 -58.66 1 4 -1 73 329.331 2

Activity (Go SEA)

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