UCSF

ZINC22742460

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 4.26 9.53 -25.57 1 7 0 92 444.582 9
Mid Mid (pH 6-8) 4.32 8.63 -50.99 0 7 -1 99 443.574 9

Activity (Go SEA)

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