UCSF

ZINC25560627

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 5.08 13.77 -12.57 0 4 0 43 493.146 2
Mid Mid (pH 6-8) 5.08 14.24 -32.29 1 4 1 44 494.154 2
Mid Mid (pH 6-8) 5.08 14.09 -41.23 1 4 1 45 494.154 2

Activity (Go SEA)

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