UCSF

ZINC06545942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 2.69 7.66 -18.5 2 8 0 101 460.534 5
Lo Low (pH 4.5-6) 2.69 7.95 -44.86 3 8 1 102 461.542 5

Activity (Go SEA)

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