UCSF

ZINC41586546

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 4.11 9.88 -41.04 2 6 1 77 381.452 6
Hi High (pH 8-9.5) 4.11 8.41 -46.81 0 6 -1 79 379.436 6
Mid Mid (pH 6-8) 4.11 7.64 -11.99 1 6 0 76 380.444 6
Mid Mid (pH 6-8) 4.11 10.64 -25.37 1 6 0 80 380.444 6

Activity (Go SEA)

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