UCSF

ZINC36232215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.74 4.23 -46.07 3 3 1 40 243.415 7
Lo Low (pH 4.5-6) 2.74 6.22 -120.43 4 3 2 41 244.423 7

Activity (Go SEA)

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