UCSF

ZINC21715337

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 2.42 5.23 -53.72 2 6 0 79 329.4 6
Mid Mid (pH 6-8) 2.42 7.22 -92.1 3 6 1 80 330.408 6
Mid Mid (pH 6-8) 2.42 4.8 -53.39 1 6 -1 78 328.392 6

Activity (Go SEA)

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