UCSF

ZINC37088288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.97 6.92 -44.14 2 3 0 57 225.313 6
Hi High (pH 8-9.5) 1.97 5.72 -44.36 1 3 -1 52 224.305 6

Activity (Go SEA)

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