UCSF

ZINC39981839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 22 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) 2.40 4.24 -14.09 1 6 0 67 344.506 7
Hi High (pH 8-9.5) 2.59 4.12 -43.71 0 6 -1 74 343.498 7
Mid Mid (pH 6-8) 2.40 6.52 -47.11 2 6 1 69 345.514 7

Activity (Go SEA)

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