UCSF

ZINC06616473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 19 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) 0.00 7.89 -31.92 1 4 0 57 256.305 3
Lo Low (pH 4.5-6) 0.00 8.17 -76.22 2 4 1 59 257.313 3

Activity (Go SEA)

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