UCSF

ZINC37798776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.60 4.5 -40.53 3 4 1 57 316.219 5
Hi High (pH 8-9.5) 1.60 4.2 -7.21 2 4 0 56 315.211 5

Activity (Go SEA)

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