UCSF

ZINC70303626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 19 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) 1.28 5.25 -50.52 2 5 1 67 261.301 4
Hi High (pH 8-9.5) 1.28 3.81 -13.25 1 5 0 63 260.293 4

Activity (Go SEA)

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