UCSF

ZINC36101360

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) 3.45 8.86 -46.07 2 4 1 37 376.883 5
Mid Mid (pH 6-8) 3.45 6.47 -10.66 1 4 0 36 375.875 5

Activity (Go SEA)

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