UCSF

ZINC36226427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 1.82 4.12 -24.02 4 3 1 52 180.275 4
Mid Mid (pH 6-8) 1.82 3.78 -5.27 3 3 0 51 179.267 4

Activity (Go SEA)

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