UCSF

ZINC44216842

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 No

Other Names:

MFCD06206382

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) -1.01 4.76 -50.5 3 6 0 114 228.179 4
Hi High (pH 8-9.5) -1.01 4.43 -41.77 2 6 -1 112 227.171 4

Activity (Go SEA)

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