UCSF

ZINC22083890

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 34 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) 4.63 11.1 -21.15 2 6 0 76 457.574 10
Mid Mid (pH 6-8) 4.63 11.32 -42.74 3 6 1 78 458.582 10

Activity (Go SEA)

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