UCSF

ZINC39859764

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.25 11.81 -39.95 1 3 1 37 307.417 5
Mid Mid (pH 6-8) 4.25 9.79 -8.32 0 3 0 36 306.409 5

Activity (Go SEA)

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