UCSF

ZINC19866518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 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) 3.86 10.42 -52.83 2 3 1 33 324.423 5
Hi High (pH 8-9.5) 3.86 9.01 -7.74 1 3 0 28 323.415 5

Activity (Go SEA)

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