UCSF

ZINC37792586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.44 6.45 -54.89 2 5 0 74 256.346 7
Lo Low (pH 4.5-6) 1.44 4.31 -43.92 3 5 1 71 257.354 7

Activity (Go SEA)

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