UCSF

ZINC04101506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 2.28 6.27 -23.15 1 8 0 100 473.576 7
Hi High (pH 8-9.5) 2.28 5.97 -55.5 0 8 -1 102 472.568 7

Activity (Go SEA)

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