UCSF

ZINC37980767

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 11 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) -1.05 -2.55 -43.7 3 5 1 76 158.181 4
Hi High (pH 8-9.5) -1.05 -3.98 -9.02 2 5 0 71 157.173 4

Activity (Go SEA)

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