UCSF

ZINC37814125

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) 2.19 5.5 -43.36 3 3 1 48 320.276 5
Hi High (pH 8-9.5) 2.19 5.18 -7.59 2 3 0 46 319.268 5

Activity (Go SEA)

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