UCSF

ZINC21876594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 35 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) 0.61 3.7 -18.2 2 10 0 109 486.548 8
Mid Mid (pH 6-8) 0.61 6.03 -56.09 3 10 1 110 487.556 8

Activity (Go SEA)

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