UCSF

ZINC37066596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.88 5.86 -39.16 3 5 1 56 265.381 3
Hi High (pH 8-9.5) 1.88 3.87 -5.18 2 5 0 55 264.373 3

Activity (Go SEA)

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