UCSF

ZINC04660877

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 24 Yes

Other Names:

MFCD04444098

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) 4.21 -3.77 -10.5 1 5 0 68 366.439 5
Hi High (pH 8-9.5) 4.21 -3.2 -38.61 0 5 -1 70 365.431 5

Activity (Go SEA)

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