UCSF

ZINC37827031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.62 1.7 -38.15 3 4 1 51 212.317 3
Mid Mid (pH 6-8) 0.62 3.9 -88.52 4 4 2 52 213.325 3

Activity (Go SEA)

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