UCSF

ZINC45699621

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.40 7.8 -34.98 1 3 1 25 249.378 8
Hi High (pH 8-9.5) 2.40 5.32 -7.29 0 3 0 24 248.37 8

Activity (Go SEA)

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