UCSF

ZINC04016761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 30 No

Other Names:

MFCD00627526

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) 4.06 11.82 -18.14 0 6 0 65 394.434 4
Mid Mid (pH 6-8) 4.54 8.46 -57.5 1 6 -1 79 393.426 4

Activity (Go SEA)

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