UCSF

ZINC37421026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 18 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) 1.37 2.66 -73.31 2 6 0 91 357.251 6
Hi High (pH 8-9.5) 1.37 2.82 -85.15 1 6 -1 93 356.243 6
Hi High (pH 8-9.5) 1.37 0.21 -46.27 1 6 -1 90 356.243 6

Activity (Go SEA)

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