UCSF

ZINC20999343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 3.08 9.12 -38.86 1 4 1 26 333.496 8
Mid Mid (pH 6-8) 3.08 9.1 -44.54 1 4 1 26 333.496 8

Activity (Go SEA)

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