UCSF

ZINC36273055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.38 8.04 -49.18 3 6 1 60 352.462 4
Mid Mid (pH 6-8) 2.38 6.73 -36.36 3 6 1 60 352.462 4
Mid Mid (pH 6-8) 2.38 5.66 -12.26 2 6 0 59 351.454 4
Mid Mid (pH 6-8) 2.38 7.2 -77.8 4 6 2 61 353.47 4

Activity (Go SEA)

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