UCSF

ZINC36948929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 0.34 1.25 -40.7 3 4 1 55 218.317 8
Hi High (pH 8-9.5) 0.34 -0.17 -6.96 2 4 0 51 217.309 8

Activity (Go SEA)

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