UCSF

ZINC34016526

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 32 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) 1.44 12.64 -45.59 3 7 1 92 445.421 5
Hi High (pH 8-9.5) 1.44 12.58 -11.55 2 7 0 90 444.413 5

Activity (Go SEA)

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