UCSF

ZINC31934517

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 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) 2.22 5.9 -51.66 3 4 1 62 266.39 4
Hi High (pH 8-9.5) 2.22 4.59 -11.12 2 4 0 58 265.382 4
Hi High (pH 8-9.5) 2.67 4.83 -41.81 2 4 0 65 265.382 4

Activity (Go SEA)

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