UCSF

ZINC23358114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 3.21 5.33 -38.67 2 5 1 46 363.522 7
Hi High (pH 8-9.5) 3.21 3.11 -6.47 1 5 0 45 362.514 7

Activity (Go SEA)

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