UCSF

ZINC20028363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 30 No

Other Names:

MFCD02229754

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) 1.77 4.06 -64.86 1 7 -1 93 407.446 6
Mid Mid (pH 6-8) 1.77 6.41 -78.2 2 7 0 94 408.454 6

Activity (Go SEA)

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