UCSF

ZINC04905426

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 28 No

Other Names:

MFCD07788960

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) 3.90 -0.71 -11.76 1 5 0 66 419.93 8
Mid Mid (pH 6-8) 3.32 -0.89 -15.4 0 5 0 63 419.93 8

Activity (Go SEA)

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