UCSF

ZINC37033321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.08 2.08 -52.68 4 6 1 87 248.31 3
Hi High (pH 8-9.5) 0.08 1.78 -11 3 6 0 86 247.302 3

Activity (Go SEA)

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