UCSF

ZINC36782682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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 1.78 -35.51 4 5 1 75 240.327 4
Hi High (pH 8-9.5) 0.40 0.46 -7.67 3 5 0 70 239.319 4

Activity (Go SEA)

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