UCSF

ZINC09358797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 30 No

Other Names:

MFCD04019074

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) 2.60 5.94 -68.94 1 7 -1 103 412.462 9
Lo Low (pH 4.5-6) 2.60 5.12 -19.53 2 7 0 100 413.47 9

Activity (Go SEA)

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