UCSF

ZINC35745476

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 23 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) 2.15 8.48 -54.18 2 6 1 76 334.421 6
Mid Mid (pH 6-8) 2.61 5.84 -42.12 1 6 0 80 333.413 6

Activity (Go SEA)

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