UCSF

ZINC35453844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 4.47 9.89 -12.94 0 6 0 74 412.474 3
Lo Low (pH 4.5-6) 4.47 10.35 -51.4 1 6 1 75 413.482 3

Activity (Go SEA)

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