UCSF

ZINC36889016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) -0.15 5.96 -38.54 2 3 0 57 215.199 4
Hi High (pH 8-9.5) -0.15 4.82 -52.27 1 3 -1 52 214.191 4

Activity (Go SEA)

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