UCSF

ZINC04114843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 27 Yes

Other Names:

MFCD00693999

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) 6.27 11.3 -7.74 1 5 0 64 390.549 8
Lo Low (pH 4.5-6) 6.27 11.68 -31.64 2 5 1 65 391.557 8

Activity (Go SEA)

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