UCSF

ZINC05360938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 27 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) 2.14 10.29 -20.9 0 9 0 97 392.799 7
Mid Mid (pH 6-8) 2.14 10.78 -57.01 1 9 1 99 393.807 7

Activity (Go SEA)

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