UCSF

ZINC43341991

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 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) 2.53 6.03 -35.09 3 3 1 50 257.357 5
Hi High (pH 8-9.5) 2.53 5.71 -3.99 2 3 0 48 256.349 5

Activity (Go SEA)

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