UCSF

ZINC20064961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 29 No

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) 3.32 10.69 -64.03 1 5 0 65 396.462 8
Hi High (pH 8-9.5) 3.32 8.4 -55.66 0 5 -1 64 395.454 8
Lo Low (pH 4.5-6) 3.32 9.87 -46.32 2 5 1 62 397.47 8

Activity (Go SEA)

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