UCSF

ZINC27423022

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 28 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) 0.38 8.22 -96.15 2 6 0 82 391.418 6
Mid Mid (pH 6-8) -2.36 7.26 -69.21 3 6 1 85 392.426 5

Activity (Go SEA)

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