UCSF

ZINC08664944

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2007 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) 4.36 0.95 -15.66 1 6 0 83 412.445 2
Lo Low (pH 4.5-6) 4.36 1.11 -33.43 2 6 1 84 413.453 2

Activity (Go SEA)

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