UCSF

ZINC21812696

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 0.48 1.57 -78.31 2 6 0 91 278.355 6
Mid Mid (pH 6-8) 0.48 1.16 -89.44 1 6 -1 93 277.347 6

Activity (Go SEA)

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