UCSF

ZINC37049831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.91 1.17 -47.02 4 4 1 60 265.377 4
Mid Mid (pH 6-8) 0.91 3.14 -90.73 5 4 2 62 266.385 4

Activity (Go SEA)

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