UCSF

ZINC09708661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 5.10 -6.17 -15.93 1 6 0 83 456.589 5
Hi High (pH 8-9.5) 5.10 -5.59 -57.01 0 6 -1 85 455.581 5

Activity (Go SEA)

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