UCSF

ZINC35819351

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 27 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) 1.62 5.76 -42.32 2 6 1 53 392.524 7
Mid Mid (pH 6-8) 1.62 8.01 -102.53 3 6 2 54 393.532 7

Activity (Go SEA)

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