UCSF

ZINC37989757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) -0.80 -2.54 -47.99 4 6 1 99 185.207 4
Hi High (pH 8-9.5) -0.80 -3.79 -13.65 3 6 0 94 184.199 4

Activity (Go SEA)

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