UCSF

ZINC04265797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 27 Yes

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) 4.43 10.48 -12.09 0 6 0 61 359.385 4
Mid Mid (pH 6-8) 4.43 10.82 -32.94 1 6 1 62 360.393 4

Activity (Go SEA)

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