UCSF

ZINC29215758

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 26 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) 2.81 5.07 -15.96 1 6 0 60 354.406 5
Lo Low (pH 4.5-6) 2.81 7.43 -54.86 2 6 1 61 355.414 5

Activity (Go SEA)

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