UCSF

ZINC27664564

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 35 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) 3.56 7.29 -21.24 4 8 0 122 488.931 7
Hi High (pH 8-9.5) 3.56 8.22 -49.68 3 8 -1 124 487.923 7

Activity (Go SEA)

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