UCSF

ZINC20128892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 2.90 8.57 -103.48 3 2 2 21 214.397 8
Mid Mid (pH 6-8) 2.90 6.29 -39.11 2 2 1 20 213.389 8

Activity (Go SEA)

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