UCSF

ZINC37993495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 Yes

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) 0.94 6.66 -37.45 1 5 -1 76 278.115 4
Hi High (pH 8-9.5) 0.94 6.5 -102.65 0 5 -2 75 277.107 4

Activity (Go SEA)

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