UCSF

ZINC36197456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.70 2.32 -29.65 4 5 1 69 255.338 8
Hi High (pH 8-9.5) 0.70 -0.48 -4.85 3 5 0 68 254.33 8

Activity (Go SEA)

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