UCSF

ZINC53149724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 Yes

Other Names:

MFCD18917202

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) 2.09 4.63 -41.93 3 2 1 29 243.733 3
Mid Mid (pH 6-8) 2.09 5.83 -118.76 4 2 2 33 244.741 3

Activity (Go SEA)

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