UCSF

ZINC53136467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 0.55 6.07 -58.04 1 6 -1 99 272.284 5
Lo Low (pH 4.5-6) 0.55 4.55 -49.03 3 6 1 97 274.3 5
Lo Low (pH 4.5-6) 0.55 6.52 -81.81 2 6 0 100 273.292 5

Activity (Go SEA)

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