UCSF

ZINC37996230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) -0.30 5.5 -39.93 3 3 0 68 205.323 8
Hi High (pH 8-9.5) -0.30 5.15 -44.46 2 3 -1 66 204.315 8

Activity (Go SEA)

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