UCSF

ZINC37034792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.95 4.46 -45.15 4 4 1 68 271.34 4
Hi High (pH 8-9.5) 1.95 5.38 -57.88 3 4 0 71 270.332 4

Activity (Go SEA)

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