UCSF

ZINC19785077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 20 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) 1.09 2.29 -37.2 2 5 1 46 281.376 5
Mid Mid (pH 6-8) 1.09 -0.17 -7.26 1 5 0 45 280.368 5

Activity (Go SEA)

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