UCSF

ZINC34949314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.18 10.77 -9.25 0 5 0 42 504.471 10
Mid Mid (pH 6-8) 4.18 13.05 -53.58 1 5 1 43 505.479 10

Activity (Go SEA)

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