UCSF

ZINC00644735

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 23 Yes

Other Names:

MFCD03237422

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) 4.31 -1.69 -8.99 0 1 0 50 413.515 3
Lo Low (pH 4.5-6) 4.31 -1.58 -36.39 2 3 1 51 414.523 5

Activity (Go SEA)

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