UCSF

ZINC39917586

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 33 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) 4.57 11.68 -15.42 0 6 0 49 449.595 11
Mid Mid (pH 6-8) 4.57 13.94 -53.04 1 6 1 50 450.603 11
Mid Mid (pH 6-8) 4.57 11.97 -36.82 1 6 1 50 450.603 11
Lo Low (pH 4.5-6) 4.57 14.23 -101.5 2 6 2 51 451.611 11

Activity (Go SEA)

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