UCSF

ZINC37071485

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) 3.75 5.97 -9.68 2 3 0 56 272.735 4
Hi High (pH 8-9.5) 3.75 6.73 -41.54 1 3 -1 59 271.727 4

Activity (Go SEA)

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