UCSF

ZINC06753198

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 27 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) 2.65 4.27 -9.45 3 6 0 89 367.38 4
Hi High (pH 8-9.5) 2.65 5.01 -43.05 2 6 -1 92 366.372 4

Activity (Go SEA)

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