UCSF

ZINC06738170

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 22 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) 2.52 6.74 -21.38 1 4 0 67 313.378 2
Hi High (pH 8-9.5) 3.82 5.47 -46.97 0 4 -1 70 312.37 2

Activity (Go SEA)

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