UCSF

ZINC36948928

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 1.28 -40.86 3 4 1 55 218.317 8
Hi High (pH 8-9.5) 0.34 -0.07 -6.84 2 4 0 51 217.309 8

Activity (Go SEA)

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