UCSF

ZINC28652571

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 25 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) 3.80 5.48 -16.43 2 5 0 76 338.359 1
Hi High (pH 8-9.5) 3.80 6.49 -58.76 1 5 -1 79 337.351 1

Activity (Go SEA)

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