UCSF

ZINC37010209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.77 2.14 -54.14 5 5 1 82 257.317 4
Lo Low (pH 4.5-6) 0.77 2.61 -96.32 6 5 2 83 258.325 4

Activity (Go SEA)

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