UCSF

ZINC21794324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 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) 4.83 11.39 -36.9 3 8 1 90 448.547 7
Mid Mid (pH 6-8) 4.83 11.57 -41.4 3 8 1 90 448.547 7
Mid Mid (pH 6-8) 4.83 11.3 -21.53 2 8 0 89 447.539 7

Activity (Go SEA)

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