UCSF

ZINC41667489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

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) 1.33 2.92 -10.28 0 7 0 72 358.394 4
Mid Mid (pH 6-8) 1.33 5.14 -47.42 1 7 1 73 359.402 4
Lo Low (pH 4.5-6) 1.33 5.73 -49.62 1 7 1 73 359.402 4

Activity (Go SEA)

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