UCSF

ZINC06142004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 34 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) 1.37 7.21 -26.46 2 9 0 115 477.546 7
Hi High (pH 8-9.5) 1.37 7.57 -80.97 1 9 -1 117 476.538 7
Lo Low (pH 4.5-6) 1.37 7.67 -61.99 3 9 1 116 478.554 7

Activity (Go SEA)

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