UCSF

ZINC50039542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 5.16 7.37 -6.45 2 3 0 52 319.191 2
Lo Low (pH 4.5-6) 5.16 7.4 -30.31 3 3 1 53 320.199 2

Activity (Go SEA)

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