UCSF

ZINC32103628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 Yes

Other Names:

MFCD11921256

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) 0.42 4.88 -122.46 4 4 2 51 250.342 5
Mid Mid (pH 6-8) 0.42 2.67 -48.97 3 4 1 49 249.334 5

Activity (Go SEA)

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