UCSF

ZINC26420416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 15 Yes

Other Names:

MFCD12143094

MFCD16652686

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) 2.00 2.69 -14.73 1 3 0 46 208.167 1
Mid Mid (pH 6-8) 2.46 1.93 -48.15 0 3 -1 49 207.159 1

Activity (Go SEA)

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