UCSF

ZINC37130583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 4.32 3.56 -6.17 3 3 0 52 277.751 3
Hi High (pH 8-9.5) 4.32 4.32 -38.22 2 3 -1 55 276.743 3

Activity (Go SEA)

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