UCSF

ZINC35305458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) -0.89 5.07 -33.25 2 6 0 90 247.254 4
Hi High (pH 8-9.5) -0.89 2.85 -52.06 1 6 -1 89 246.246 4

Activity (Go SEA)

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