UCSF

ZINC37039570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.77 -0.4 -100.37 5 6 2 68 243.355 5
Mid Mid (pH 6-8) -1.77 -2.68 -51.49 4 6 1 66 242.347 5

Activity (Go SEA)

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