UCSF

ZINC36326044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 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) 0.56 0.64 -38.85 3 4 1 49 229.344 6
Mid Mid (pH 6-8) 0.56 2.84 -102.1 4 4 2 51 230.352 6

Activity (Go SEA)

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