UCSF

ZINC04905530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 No

Other Names:

MFCD07788961

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) 3.17 -2.03 -14.48 1 5 0 66 391.514 8
Mid Mid (pH 6-8) 2.59 -2.21 -20.05 0 5 0 63 391.514 8

Activity (Go SEA)

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