UCSF

ZINC07671050

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 27 No

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) 2.06 9.3 -21.89 1 8 0 112 366.377 5
Hi High (pH 8-9.5) 2.52 6.32 -53.54 0 8 -1 115 365.369 5

Activity (Go SEA)

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