UCSF

ZINC22853983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 29 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) 4.94 10.95 -36.52 1 6 0 67 414.575 6
Mid Mid (pH 6-8) 4.94 10.32 -51.06 2 6 1 64 415.583 6

Activity (Go SEA)

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