UCSF

ZINC21794407

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) 3.63 7.28 -39.7 3 7 1 81 370.477 7
Mid Mid (pH 6-8) 3.63 7.12 -37.37 3 7 1 81 370.477 7
Mid Mid (pH 6-8) 3.63 6.84 -13.71 2 7 0 79 369.469 7

Activity (Go SEA)

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