UCSF

ZINC21794444

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.22 9.36 -41.8 3 7 1 81 418.521 5
Mid Mid (pH 6-8) 4.22 9.2 -37.4 3 7 1 81 418.521 5
Mid Mid (pH 6-8) 4.22 8.93 -16.6 2 7 0 79 417.513 5

Activity (Go SEA)

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