UCSF

ZINC34957370

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 2.07 6.14 -46.78 0 5 -1 68 251.258 7
Lo Low (pH 4.5-6) 2.07 4.16 -10.23 1 5 0 65 252.266 7

Activity (Go SEA)

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