UCSF

ZINC21794328

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 4.57 10.59 -43.25 3 6 1 71 406.485 5
Mid Mid (pH 6-8) 4.57 10.42 -38.15 3 6 1 71 406.485 5
Mid Mid (pH 6-8) 4.57 10.15 -20.01 2 6 0 70 405.477 5

Activity (Go SEA)

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