UCSF

ZINC05720483

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 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) 4.55 8.63 -10.05 1 3 0 38 313.441 5
Lo Low (pH 4.5-6) 4.40 7.29 -36.87 2 3 1 43 314.449 5

Activity (Go SEA)

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