UCSF

ZINC21796113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.67 3.63 -42.26 2 4 -1 74 350.634 3
Lo Low (pH 4.5-6) 3.67 3.56 -10.97 3 4 0 72 351.642 3

Activity (Go SEA)

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