UCSF

ZINC21301414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 29 Yes

Other Names:

MFCD01311759

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) 3.88 11.06 -55.23 2 5 -1 92 386.427 7
Mid Mid (pH 6-8) 3.88 11.33 -68.67 3 5 0 94 387.435 7

Activity (Go SEA)

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