UCSF

ZINC36190454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.59 4.71 -48.92 3 5 1 68 328.483 4
Mid Mid (pH 6-8) 1.59 2.54 -18.01 2 5 0 67 327.475 4

Activity (Go SEA)

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