UCSF

ZINC52215967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 21 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) -0.21 2.08 -47.21 3 7 1 75 299.395 7
Hi High (pH 8-9.5) -0.21 -0.07 -19.75 2 7 0 74 298.387 7

Activity (Go SEA)

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