UCSF

ZINC37855738

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.82 4.76 -36.39 4 3 1 60 247.362 4
Hi High (pH 8-9.5) 2.82 3.97 -7.24 3 3 0 55 246.354 4

Activity (Go SEA)

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