UCSF

ZINC31910106

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 1.95 5.97 -44.23 3 5 1 51 288.419 3
Mid Mid (pH 6-8) 1.95 3.51 -10.09 2 5 0 50 287.411 3
Mid Mid (pH 6-8) 1.95 5.83 -41.19 3 5 1 51 288.419 3
Mid Mid (pH 6-8) 1.95 6.43 -76.24 4 5 2 52 289.427 3

Activity (Go SEA)

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