UCSF

ZINC37792073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.28 4.05 -53.22 1 6 -1 82 297.375 7
Mid Mid (pH 6-8) 1.28 5.89 -62.85 2 6 0 83 298.383 7
Lo Low (pH 4.5-6) 1.28 4.71 -45.74 3 6 1 80 299.391 7

Activity (Go SEA)

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