UCSF

ZINC21795043

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.27 7.87 -40.05 3 2 1 31 316.296 5
Mid Mid (pH 6-8) 4.27 8.86 -102.78 4 2 2 32 317.304 5

Activity (Go SEA)

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