UCSF

ZINC37049746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.19 -0.61 -47.83 4 4 1 60 237.323 4
Mid Mid (pH 6-8) 0.19 1.7 -92.08 5 4 2 62 238.331 4

Activity (Go SEA)

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