UCSF

ZINC38478032

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 17 Yes

Other Names:

MFCD16652737

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) 0.44 5.65 -59.35 2 6 1 63 233.299 2
Hi High (pH 8-9.5) 0.44 4.34 -12.28 1 6 0 58 232.291 2

Activity (Go SEA)

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