UCSF

ZINC34973822

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.56 9.01 -37.33 2 2 1 40 251.438 2
Mid Mid (pH 6-8) 5.56 8.35 -3.76 1 2 0 36 250.43 2

Activity (Go SEA)

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