UCSF

ZINC27556159

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 25 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) 2.41 10.01 -70.6 0 5 -1 65 339.415 3
Mid Mid (pH 6-8) -0.33 9.06 -27.28 1 5 0 68 340.423 2

Activity (Go SEA)

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