UCSF

ZINC25407275

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 19 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) 2.65 3.61 -39.85 1 5 1 57 327.202 3
Hi High (pH 8-9.5) 2.65 1.31 -6.34 0 5 0 55 326.194 3

Activity (Go SEA)

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