UCSF

ZINC34670887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.34 5.23 -10.59 1 5 0 51 357.45 8
Lo Low (pH 4.5-6) 3.34 7.53 -48.31 2 5 1 52 358.458 8

Activity (Go SEA)

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