UCSF

ZINC13582133

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) -1.08 -1.07 -15.88 2 8 0 106 324.362 2
Hi High (pH 8-9.5) -0.18 -3.21 -51.21 1 8 -1 109 323.354 2

Activity (Go SEA)

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