UCSF

ZINC37804301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.63 4.24 -40.75 3 5 1 74 241.311 4
Hi High (pH 8-9.5) 0.63 4.6 -12.82 2 5 0 73 240.303 4

Activity (Go SEA)

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