UCSF

ZINC36770089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.71 5.44 -45.62 3 3 1 40 253.341 3
Hi High (pH 8-9.5) 0.71 5.17 -2.82 2 3 0 38 252.333 3

Activity (Go SEA)

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