UCSF

ZINC14590240

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 13 No

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) -3.17 0.78 -74.63 8 6 1 131 189.239 6
Hi High (pH 8-9.5) -3.17 0.53 -61.38 7 6 0 130 188.231 6

Activity (Go SEA)

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