UCSF

ZINC19853790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 26 No

Other Names:

MFCD01648387

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) 4.71 7.88 -42.33 2 5 -1 110 471.132 1
Mid Mid (pH 6-8) 4.71 7.24 -19.33 3 5 0 107 472.14 1

Activity (Go SEA)

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