UCSF

ZINC24373026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 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) 2.29 6.74 -45.78 2 5 1 52 281.376 8
Hi High (pH 8-9.5) 2.29 4.42 -12.8 1 5 0 51 280.368 8

Activity (Go SEA)

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