UCSF

ZINC70514493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.22 2.85 -83.82 4 5 2 60 292.464 14
Hi High (pH 8-9.5) 1.22 0.93 -35.78 3 5 1 59 291.456 14
Hi High (pH 8-9.5) 1.22 -0.62 -6.9 2 5 0 54 290.448 14

Activity (Go SEA)

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