UCSF

ZINC37825222

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.75 6.94 -107.32 3 5 2 54 281.4 6
Hi High (pH 8-9.5) 0.75 5.62 -40.41 2 5 1 50 280.392 6

Activity (Go SEA)

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