UCSF

ZINC06501715

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 19 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) 1.81 10.3 -26.88 1 3 0 45 261.365 3
Hi High (pH 8-9.5) 1.81 8.46 -48.59 0 3 -1 43 260.357 3

Activity (Go SEA)

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