UCSF

ZINC37031982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.28 3.37 -43.09 4 5 1 83 251.306 6
Mid Mid (pH 6-8) 0.28 3.08 -6.64 3 5 0 81 250.298 6

Activity (Go SEA)

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