UCSF

ZINC19923131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

Other Names:

MFCD05884255

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) 2.72 5.5 -58.26 1 7 -1 93 455.918 7
Mid Mid (pH 6-8) 2.72 7.82 -76.55 2 7 0 94 456.926 7

Activity (Go SEA)

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