UCSF

ZINC19833270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 0.39 5.21 -53.06 4 5 1 83 261.349 5
Hi High (pH 8-9.5) 0.39 2.95 -14.04 3 5 0 82 260.341 5

Activity (Go SEA)

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