UCSF

ZINC03328747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 31 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) 4.78 -2.86 -20.19 1 6 0 75 436.533 5
Hi High (pH 8-9.5) 4.78 -2.3 -53.73 0 6 -1 77 435.525 5

Activity (Go SEA)

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