UCSF

ZINC72104376

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2012 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) 5.78 13.94 -45.17 1 3 1 35 338.471 8
Hi High (pH 8-9.5) 5.78 11.97 -9.73 0 3 0 33 337.463 8

Activity (Go SEA)

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