UCSF

ZINC06577069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 32 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) 1.51 9.24 -53.61 0 8 -1 101 460.507 6
Lo Low (pH 4.5-6) 1.51 7.27 -18.32 1 8 0 98 461.515 6

Activity (Go SEA)

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