UCSF

ZINC36140091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 4.16 10.96 -42.4 2 4 1 37 352.502 5
Mid Mid (pH 6-8) 4.16 8.61 -8.38 1 4 0 36 351.494 5

Activity (Go SEA)

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