UCSF

ZINC35744221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 32 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) 4.04 9.35 -12.31 2 5 0 69 445.588 7
Mid Mid (pH 6-8) 4.04 12.04 -54.37 3 5 1 70 446.596 7

Activity (Go SEA)

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