UCSF

ZINC37033854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.72 6.28 -55.69 4 4 1 60 304.801 4
Hi High (pH 8-9.5) 2.72 5.81 -8.31 3 4 0 58 303.793 4

Activity (Go SEA)

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