UCSF

ZINC07985643

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 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) 3.69 9.13 -14.07 1 6 0 73 413.477 6
Lo Low (pH 4.5-6) 3.69 9.31 -51.3 2 6 1 75 414.485 6

Activity (Go SEA)

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