UCSF

ZINC37322049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.39 6.13 -43.76 2 3 1 29 340.285 4
Lo Low (pH 4.5-6) 3.39 7.94 -37.06 2 3 1 26 340.285 4
Lo Low (pH 4.5-6) 3.39 8.62 -114.32 3 3 2 30 341.293 4

Activity (Go SEA)

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