UCSF

ZINC36731805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -0.10 2.45 -49.73 3 4 1 51 216.349 8
Mid Mid (pH 6-8) -0.10 4.11 -34.41 3 4 1 51 216.349 8

Activity (Go SEA)

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