UCSF

ZINC39296422

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 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) 2.34 6.2 -59.06 1 5 1 59 331.417 3
Hi High (pH 8-9.5) 2.34 3.72 -15.43 0 5 0 58 330.409 3

Activity (Go SEA)

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