UCSF

ZINC09159900

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 37 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) 5.70 3.12 -15.96 0 7 0 81 498.579 8
Lo Low (pH 4.5-6) 5.70 3.25 -33.64 1 7 1 83 499.587 8

Activity (Go SEA)

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