UCSF

ZINC39907718

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.17 12.26 -10.63 0 3 0 27 306.409 7
Mid Mid (pH 6-8) 4.17 12.61 -27.75 1 3 1 28 307.417 7

Activity (Go SEA)

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