UCSF

ZINC21794417

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.34 7.11 -38.98 3 7 1 81 370.477 6
Mid Mid (pH 6-8) 3.34 6.94 -36.49 3 7 1 81 370.477 6
Mid Mid (pH 6-8) 3.34 6.67 -13.14 2 7 0 79 369.469 6

Activity (Go SEA)

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