UCSF

ZINC36781004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.46 3.74 -45.35 3 5 1 64 251.354 5
Hi High (pH 8-9.5) 0.46 2.37 -12.25 2 5 0 59 250.346 5

Activity (Go SEA)

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