UCSF

ZINC27652854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) -0.07 3.18 -40.14 4 5 0 97 250.298 6
Hi High (pH 8-9.5) -0.07 2.84 -45.87 3 5 -1 95 249.29 6

Activity (Go SEA)

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