UCSF

ZINC39557566

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 35 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) 7.68 14.51 -14.91 1 5 0 59 497.385 4
Mid Mid (pH 6-8) 7.68 14.89 -30.59 2 5 1 61 498.393 4

Activity (Go SEA)

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