UCSF

ZINC21530853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 1.46 3.79 -16.19 2 10 0 109 474.606 7
Mid Mid (pH 6-8) 1.46 6.12 -53.82 3 10 1 110 475.614 7

Activity (Go SEA)

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