UCSF

ZINC36242285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 No

Other Names:

MFCD07364330

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) 1.78 5.56 -44.2 2 5 -1 60 234.308 2
Mid Mid (pH 6-8) 1.05 5.55 -9.49 3 5 0 63 235.316 2

Activity (Go SEA)

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