UCSF

ZINC28765008

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 28 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) 1.09 10.39 -107.14 1 6 0 70 387.455 3
Mid Mid (pH 6-8) -1.65 9.3 -93.95 2 6 1 73 388.463 2
Mid Mid (pH 6-8) 1.09 7.99 -65.27 0 6 -1 69 386.447 3

Activity (Go SEA)

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