UCSF

ZINC35733745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 13 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) 0.76 1.8 -9.25 2 3 0 41 200.307 3
Mid Mid (pH 6-8) 0.76 3.01 -39.16 3 3 1 46 201.315 3

Activity (Go SEA)

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