UCSF

ZINC22853994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 28 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) 4.77 10.84 -40.54 1 5 0 58 406.502 4
Mid Mid (pH 6-8) 4.77 10.22 -58.24 2 5 1 55 407.51 4

Activity (Go SEA)

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