UCSF

ZINC35451595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 4.08 9.17 -11.84 1 8 0 80 439.56 7
Mid Mid (pH 6-8) 4.08 9.64 -42.85 2 8 1 81 440.568 7

Activity (Go SEA)

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