UCSF

ZINC37338166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.02 6.01 -9.55 0 3 0 30 265.328 4
Lo Low (pH 4.5-6) 2.02 8.15 -43.53 1 3 1 31 266.336 4

Activity (Go SEA)

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