UCSF

ZINC06492007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 30 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) 3.47 10.04 -20.88 2 8 0 121 441.538 9
Hi High (pH 8-9.5) 3.47 9.89 -41.78 1 8 -1 119 440.53 9

Activity (Go SEA)

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