UCSF

ZINC03629574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 No

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) 2.05 7 -52.44 0 3 -1 53 257.107 5
Lo Low (pH 4.5-6) 2.05 7.42 -35.46 1 3 0 54 258.115 5

Activity (Go SEA)

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