UCSF

ZINC39634616

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 39 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) 0.65 7.2 -83.71 3 10 1 110 538.669 8
Lo Low (pH 4.5-6) 0.65 7.52 -123.66 4 10 2 111 539.677 8

Activity (Go SEA)

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