UCSF

ZINC31564913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.62 8.47 -56.66 3 7 1 100 356.402 5
Hi High (pH 8-9.5) 2.62 7.24 -50.53 1 7 -1 101 354.386 5
Mid Mid (pH 6-8) 2.62 9.46 -80.45 2 7 0 102 355.394 5

Activity (Go SEA)

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