UCSF

ZINC22837619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 31 No

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) 2.91 7.64 -65.6 3 8 1 84 429.472 5
Mid Mid (pH 6-8) 2.91 7.16 -66.22 3 8 1 84 429.472 5

Activity (Go SEA)

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