UCSF

ZINC21838190

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 4.41 9.34 -14.09 1 4 0 55 397.809 5
Hi High (pH 8-9.5) 4.48 8.14 -49.55 0 4 -1 61 396.801 5

Activity (Go SEA)

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