UCSF

ZINC34469825

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 No

Other Names:

MFCD07787260

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) 2.74 7.62 -44.9 0 2 -1 40 197.641 3
Hi High (pH 8-9.5) 1.79 4.56 -94.12 7 9 2 135 475.475 6

Activity (Go SEA)

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