UCSF

ZINC44348974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 13 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) 1.42 4.28 -29.32 2 3 1 35 181.259 6
Mid Mid (pH 6-8) 1.42 3.8 -5.43 1 3 0 34 180.251 6

Activity (Go SEA)

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