UCSF

ZINC37873719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.40 1.89 -43.22 4 5 1 66 252.338 6
Hi High (pH 8-9.5) 0.40 -0.61 -10.29 3 5 0 65 251.33 6

Activity (Go SEA)

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