UCSF

ZINC51105862

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 26 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) -0.07 0.53 -19.03 3 8 0 97 362.43 6
Lo Low (pH 4.5-6) -0.07 2.8 -59.75 4 8 1 98 363.438 6

Activity (Go SEA)

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