UCSF

ZINC21803362

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) 4.57 7.31 -34.66 3 2 1 29 316.296 3
Mid Mid (pH 6-8) 4.57 8.53 -105 4 2 2 33 317.304 3

Activity (Go SEA)

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