UCSF

ZINC16701009

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.77 2.53 -23.77 1 9 0 113 493.607 7
Lo Low (pH 4.5-6) 1.77 4.44 -58.07 2 9 1 114 494.615 7

Activity (Go SEA)

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