UCSF

ZINC37789403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 No

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) 2.63 6.67 -9.52 1 5 0 53 309.797 4
Lo Low (pH 4.5-6) 2.63 6.84 -36.52 2 5 1 54 310.805 4

Activity (Go SEA)

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