UCSF

ZINC21807400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 5.95 12.32 -39.57 2 1 1 17 302.869 6
Mid Mid (pH 6-8) 5.95 11.14 -2.81 1 1 0 12 301.861 6

Activity (Go SEA)

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