UCSF

ZINC37793202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 No

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) -0.61 1.45 -47.69 1 6 -1 82 241.267 5
Mid Mid (pH 6-8) -0.61 3.82 -67.81 2 6 0 83 242.275 5

Activity (Go SEA)

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