UCSF

ZINC16322798

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 12 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) 2.14 5.23 -41.68 0 2 -1 40 167.228 1
Mid Mid (pH 6-8) 1.40 5.25 -8.85 0 2 0 34 168.236 1

Activity (Go SEA)

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