UCSF

ZINC38735415

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.59 12.26 -24.22 1 4 0 47 385.492 4
Lo Low (pH 4.5-6) 4.59 12.7 -37.95 2 4 1 48 386.5 4

Activity (Go SEA)

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