UCSF

ZINC37272285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.56 -0.91 -58.24 6 6 1 103 249.294 3
Hi High (pH 8-9.5) -0.56 -3.26 -16.13 5 6 0 101 248.286 3

Activity (Go SEA)

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