UCSF

ZINC25366205

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 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) 4.98 5.79 -45.27 0 4 -1 57 381.207 5
Mid Mid (pH 6-8) 4.98 5.77 -10.01 1 4 0 55 382.215 5

Activity (Go SEA)

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