UCSF

ZINC36326506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) -0.14 2.24 -14.74 2 5 0 59 287.429 7
Mid Mid (pH 6-8) -0.14 4.4 -48.04 3 5 1 60 288.437 7

Activity (Go SEA)

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