UCSF

ZINC06471480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 18 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) 4.40 8.66 -7.82 1 2 0 29 245.366 4
Lo Low (pH 4.5-6) 4.59 7.79 -25.65 2 2 1 34 246.374 4

Activity (Go SEA)

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