UCSF

ZINC37037813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.51 2.29 -48.35 3 5 1 60 244.359 6
Mid Mid (pH 6-8) 0.51 4.5 -115.57 4 5 2 62 245.367 6

Activity (Go SEA)

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