UCSF

ZINC37085462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.06 4.98 -47.43 2 5 1 61 252.29 5
Hi High (pH 8-9.5) 2.06 3.77 -9.1 1 5 0 57 251.282 5

Activity (Go SEA)

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