UCSF

ZINC37350081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 3.66 5.77 -11.34 2 3 0 52 272.254 2
Lo Low (pH 4.5-6) 3.66 5.88 -24.89 3 3 1 53 273.262 2

Activity (Go SEA)

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