UCSF

ZINC08442276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Other Names:

MFCD04152195

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) 8.44 -3.97 -17.11 2 6 0 88 493.739 18
Hi High (pH 8-9.5) 8.44 -3.42 -47.08 1 6 -1 90 492.731 18

Activity (Go SEA)

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